9-(diphenylmethylidene)-9H-fluorene

• ChemBase ID: 134304
• Molecular Formular: C26H18
• Molecular Mass: 330.42112
• Monoisotopic Mass: 330.14085058
• SMILES: c1ccc(cc1)/C(=C\1/c2ccccc2c2c1cccc2)/c1ccccc1
• Canonical SMILES: c1ccc(cc1)/C(=C/1\c2ccccc2c2c1cccc2)/c1ccccc1
• InChI: InChI=1S/C26H18/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)26-23-17-9-7-15-21(23)22-16-8-10-18-24(22)26/h1-18H
• InChIKey: CGUOPWAERAISDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(diphenylmethylidene)-9H-fluorene
• IUPAC Traditional name: 9-(diphenylmethylidene)fluorene
• Synonyms: Benzhydrylidenefluorene; 二苯亚甲基芴

Database IDs

• CAS Number: 4709-68-6
• MDL Number: MFCD00051452
• Beilstein Number: 1977991
• PubChem SID: 162228581; 24891678
• PubChem CID: 238872

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.8534636
• LogD (pH = 7.4): 6.8534636
• Log P: 6.8534636
• Molar Refractivity: 127.6964 cm^3
• Polarizability: 43.669537 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 230-232°C

Safety Information

• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98+%