2,9-dianilino-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
Formula:C38H24N4O4
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
2,9-dianilino-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone is not a drug-like molecule.
| MolName | 2,9-dianilino-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone |
| MolecularFormula | C38H24N4O4 |
| Smiles | O=C(c(cc(c(C(N(c1ccccc1)C1=O)=O)c2c1c1)Nc3ccccc3)c2c2c1Nc1ccccc1)N(c1ccccc1)C2=O |
| InChI | InChI=1S/C38H24N4O4/c43-35-27-21-29(39-23-13-5-1-6-14-23)33-31-28(36(44)41(37(33)45)25-17-9-3-10-18-25)22-30(40-24-15-7-2-8-16-24)34(32(27)31)38(46)42(35)26-19-11-4-12-20-26/h1-22,39-40H |
| InChIK | DHCHNLDAEGYMJT-UHFFFAOYSA-N |
| TotalMolweight | 600.633 |
| Molweight | 600.633 |
| MonoisotopicMass | 600.179756 |
| CLogP | 7.5732 |
| CLogS | -10.086 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 434.42 |
| Relative PSA | 0.18917 |
| PolarSurfaceArea | 98.82 |
| Druglikeness | 1.6417 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.34783 |
| Fragments | 1 |
| Non HAtoms | 46 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 8 |
| Small Rings | 8 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 34 |
| Symmetricatoms | 27 |
| Amides | 2 |
| Amines | 2 |
| Aromatic Amines | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2,9-dianilino-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone | 2 - 2,9-dianilino-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
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