[3-(diphenylmethylidene)-4,5-diphenylcyclopenta-1,4-dien-1-yl]benzene

• ChemBase ID: 111856
• Molecular Formular: C36H26
• Molecular Mass: 458.59164
• Monoisotopic Mass: 458.20345083
• SMILES: c1ccc(cc1)C1=C/C(=C(/c2ccccc2)\c2ccccc2)/C(=C1c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)/C(=C/1\C=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)/c1ccccc1
• InChI: InChI=1S/C36H26/c1-6-16-27(17-7-1)32-26-33(34(28-18-8-2-9-19-28)29-20-10-3-11-21-29)36(31-24-14-5-15-25-31)35(32)30-22-12-4-13-23-30/h1-26H
• InChIKey: WBTBLXLPYJLACI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(diphenylmethylidene)-4,5-diphenylcyclopenta-1,4-dien-1-yl]benzene
• IUPAC Traditional name: [3-(diphenylmethylidene)-4,5-diphenylcyclopenta-1,4-dien-1-yl]benzene
• Synonyms: PENTAPHENYL FULVENE

Database IDs

• PubChem SID: 162106638
• PubChem CID: 23032076

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.022407
• LogD (pH = 7.4): 9.022407
• Log P: 9.022407
• Molar Refractivity: 162.0165 cm^3
• Polarizability: 58.93942 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05221392

MP Biomedicals Rare Chemical collection