(7E)-7-[(3E)-3-benzo[c]fluoren-7-ylidene-2-[(E)-benzo[c]fluoren-7-ylidenemethyl]propylidene]benzo[c]fluorene
Formula:C55H34
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(7E)-7-[(3E)-3-benzo[c]fluoren-7-ylidene-2-[(E)-benzo[c]fluoren-7-ylidenemethyl]propylidene]benzo[c]fluorene is not a drug-like molecule.
| MolName | (7E)-7-[(3E)-3-benzo[c]fluoren-7-ylidene-2-[(E)-benzo[c]fluoren-7-ylidenemethyl]propylidene]benzo[c]fluorene |
| MolecularFormula | C55H34 |
| Smiles | C(C(/C=C(\c1c-2cccc1)/c1c2c2ccccc2cc1)/C=C(\c1c-2cccc1)/c1c2c2ccccc2cc1)=C(\c1c-2cccc1)/c1c2c2ccccc2cc1 |
| InChI | InChI=1S/C55H34/c1-4-16-38-35(13-1)25-28-47-50(41-19-7-10-22-44(41)53(38)47)31-34(32-51-42-20-8-11-23-45(42)54-39-17-5-2-14-36(39)26-29-48(51)54)33-52-43-21-9-12-24-46(43)55-40-18-6-3-15-37(40)27-30-49(52)55/h1-34H |
| InChIK | NWPIKOJPAAREFC-UHFFFAOYSA-N |
| TotalMolweight | 694.875 |
| Molweight | 694.875 |
| MonoisotopicMass | 694.26605 |
| CLogP | 14.855 |
| CLogS | -17.467 |
| TotalSurfaceArea | 521.99 |
| Druglikeness | -0.76608 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.30909 |
| Fragments | 1 |
| Non HAtoms | 55 |
| Rotatable Bond | 3 |
| Rings Closures | 12 |
| Small Rings | 12 |
| Aromatic Rings | 9 |
| Aromatic Atoms | 48 |
| Sp3Atoms | 1 |
| Symmetricatoms | 36 |
| StereoCon |
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1 - (7E)-7-[(3E)-3-benzo[c]fluoren-7-ylidene-2-[(E)-benzo[c]fluoren-7-ylidenemethyl]propylidene]benzo[c]fluorene | 2 - (7E)-7-[(3E)-3-benzo[c]fluoren-7-ylidene-2-[(E)-benzo[c]fluoren-7-ylidenemethyl]propylidene]benzo[c]fluorene
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