Chemical : (1,3-Phenylenediazanylylidene)bis(triphenyl-lambda~5~-phosphane)
Casrn : 20339-23-5 |
MolName : (1,3-Phenylenediazanylylidene)bis(triphenyl-lambda~5~-phosphane) |
MolecularFormula : C42H34N2P2 |
Smiles : c(cc1)ccc1P(c1ccccc1)(c1ccccc1)=Nc1cccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c1 |
InChI : InChI=1S/C42H34N2P2/c1-7-22-37(23-8-1)45(38-24-9-2-10-25-38,39-26-11-3-12-27-39)43-35-20-19-21-36(34-35)44-46(40-28-13-4-14-29-40,41-30-15-5-16-31-41)42-32-17-6-18-33-42/h1-34H |
InChIK : WCWCHQYROVLJLQ-UHFFFAOYSA-N |
CanonicalSyTyLFy : 2c216d426460298a |
TotalMolweight : 628.694 |
Molweight : 628.694 |
MonoisotopicMass : 628.219722 |
CLogP : 11.149 |
CLogS : -11.994 |
H Acceptors : 2 |
TotalSurfaceArea : 489.8 |
Relative PSA : 0.06325 |
PolarSurfaceArea : 44.34 |
Druglikeness : -12.682 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.32609 |
Molecula Flexibility : 0.37378 |
Molecular Complexity : 0.83186 |
Fragments : 1 |
Non HAtoms : 46 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
Rotatable Bond : 8 |
Rings Closures : 7 |
Small Rings : 7 |
Aromatic Rings : 7 |
Aromatic Atoms : 42 |
Sp3Atoms : 2 |
Symmetricatoms : 36 |
StereoCon : |
| CAS Number | Mutagenic | Tumorigenic | Irritant | Molecule Formula | Mol Weight | Druglikeness |
|---|---|---|---|---|---|---|
| 100004-79-3 | none | none | none | C13H11NO2 | 213.235 | -1.5864 |
| 1000339-45-6 | none | none | high | C8H14O2F2 | 180.193 | -28.199 |
| 1000-90-4 | none | none | none | Zn.C4H7OS2.C4H7OS2 | 135.231 | -2.7683 |
| 1000303-67-2 | none | none | none | C6H8N2O | 124.143 | 2.717 |
| 1000-40-4 | high | none | low | C10H24S2Sn | 327.143 | -7.0269 |
| 100-41-4 | high | high | high | C8H10 | 106.167 | -2.68 |
| 100-64-1 | high | high | none | C6H11NO | 113.159 | -6.4182 |
| 100-16-3 | low | high | none | C6H7N3O2 | 153.141 | -9.8627 |
| 100-68-5 | none | none | none | C7H8S | 124.207 | -1.735 |
| 1000269-51-1 | none | none | none | C13H12NO4B | 257.052 | -12.285 |
| 1000339-33-2 | none | none | none | C10H11NClF | 199.655 | 0.76 |
| 1000018-50-7 | none | none | none | C13H16N2O4 | 264.28 | -7.3568 |
| 100004-80-6 | none | none | none | C13H11NO3 | 229.234 | -1.3547 |
| 100012-67-7 | high | high | high | C12H12O5 | 236.222 | -19.846 |
| 100-47-0 | high | none | high | C7H5N | 103.124 | -6.0498 |
| 100-96-9 | high | none | none | C7H10N2O | 138.169 | -1.7412 |
| 1000339-29-6 | none | none | none | C14H15N2OBr | 307.19 | -5.8756 |
| 10000-51-8 | none | none | none | C14H15NO3 | 245.277 | 0.10503 |
| 100-11-8 | low | high | none | C7H6NO2Br | 216.034 | -13.162 |
| 1000339-36-5 | none | none | none | C16H19NO3S | 305.397 | -3.4866 |
| 1000-22-2 | low | high | low | C6H14O2FPS | 200.213 | -11.052 |
| 1000-43-7 | high | high | high | C8H18Cl2Si | 213.223 | -31.848 |
| 100005-79-6 | none | none | none | C12H9NS | 199.276 | -2.6106 |
| 100007-62-3 | none | none | high | C8H13NO | 139.197 | -8.1398 |
| 100-15-2 | none | high | none | C7H8N2O2 | 152.153 | -5.7806 |
| 100-57-2 | high | low | low | C6H6OHg | 294.703 | -2.3891 |
| 100-63-0 | high | high | none | C6H8N2 | 108.144 | -4.3224 |
| 1000304-40-4 | none | none | none | C11H17NO | 179.262 | 2.2651 |
| 100-05-0 | none | none | none | Cl.C6H4N3O2 | 150.117 | -9.1371 |
| 017257-81-7 | none | none | none | C6H10O2 | 114.143 | 0.9106 |
| 10-00-4 | none | none | none | C28H34O8 | 498.57 | -4.8409 |
| 100020-34-6 | none | none | none | C13H18S2 | 238.418 | -0.23079 |
| 1000018-22-3 | none | none | none | C16H22N3O4Br | 400.272 | -33.051 |
| 10001-46-4 | none | none | none | C9H11N3O3 | 209.204 | 1.9565 |
| 10003-42-6 | none | none | none | C11H11NO4 | 221.211 | -4.7046 |
| 1000068-42-7 | none | none | none | C10H11NO3BrFS | 324.169 | -2.2263 |
| 1000-63-1 | none | none | high | C8H18O | 130.23 | -19.78 |
| 1000018-56-3 | none | none | none | C7H4N3O2Br | 242.032 | -0.39052 |
| 1000-77-7 | high | high | none | HCl.C6H15NO6S2 | 261.318 | 1.5333 |
| 1000269-67-9 | none | none | none | C13H22N4 | 234.346 | 0.99367 |
| 100-33-4 | none | none | none | C19H24N4O2 | 340.426 | -7.2784 |
| 100-71-0 | none | none | none | C7H9N | 107.155 | -2.2725 |
| 100-70-9 | none | none | none | C6H4N2 | 104.112 | -6.0498 |
| 100-56-1 | high | low | low | C6H5ClHg | 313.149 | -2.3575 |
| 100-32-3 | none | none | none | C12H8N2O4S2 | 308.338 | -7.3436 |
| 100009-99-2 | low | high | none | C21H25NO4 | 355.433 | 2.9337 |
| 1000018-39-2 | high | high | low | C13H20N2O2S | 268.38 | 1.9315 |
| 1000339-23-0 | none | none | none | C6H5N2O2Br | 217.022 | -3.3311 |
| 100027-27-8 | none | none | none | CH3I.C20H24N2 | 292.425 | 3.4994 |
| 1000339-55-8 | none | none | none | C9H7O2F3 | 204.147 | -12.197 |
| 10003-67-5 | none | none | none | C33H62O6 | 554.849 | -22.973 |
| 1000018-07-4 | none | none | none | C14H13N3O | 239.277 | 1.9531 |
| 100-39-0 | high | high | none | C7H7Br | 171.037 | -7.8241 |
| 100-21-0 | high | none | high | C8H6O4 | 166.132 | -1.8442 |
| 1000010-11-6 | none | none | none | C28H44N2O2 | 440.669 | -21.689 |
| 1000339-27-4 | none | none | none | C14H8N3O3Br | 346.14 | -5.8142 |
| 1000-46-0 | none | none | none | C7H18Ge | 174.83 | -4.6976 |
| 100004-81-7 | none | none | none | C13H11NO3 | 229.234 | -1.3547 |
| 10000-42-7 | high | high | low | C20H18N4O3 | 362.388 | -5.7793 |
| 100-51-6 | high | high | high | C7H8O | 108.14 | -2.2456 |
2 Click to Load Molecule - (1,3-Phenylenediazanylylidene)bis(triphenyl-lambda~5~-phosphane)
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