[cyclopenta-2,4-dien-1-ylidene(phenyl)methyl]benzene

• ChemBase ID: 110332
• Molecular Formular: C18H14
• Molecular Mass: 230.30376
• Monoisotopic Mass: 230.10955045
• SMILES: c1ccc(cc1)/C(=C/1\C=CC=C1)/c1ccccc1
• Canonical SMILES: C1=C/C(=C(\c2ccccc2)/c2ccccc2)/C=C1
• InChI: InChI=1S/C18H14/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16/h1-14H
• InChIKey: BULLHRADHZGONG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [cyclopenta-2,4-dien-1-ylidene(phenyl)methyl]benzene
• IUPAC Traditional name: [cyclopenta-2,4-dien-1-ylidene(phenyl)methyl]benzene
• Synonyms: Diphenylfulvene; DIPHENYLFULVENE; 二苯基富烯

Database IDs

• CAS Number: 2175-90-8
• EC Number: 218-533-4
• MDL Number: MFCD00001419
• PubChem SID: 24893618; 162095794
• PubChem CID: 101236

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.474711
• LogD (pH = 7.4): 4.474711
• Log P: 4.474711
• Molar Refractivity: 88.8855 cm^3
• Polarizability: 29.768427 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 81.5-83 °C(lit.)

Safety Information

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

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C18H14

DETAILS

MP Biomedicals - 05214578

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D207705

Packaging
5, 10 g in glass bottle