-
Name
9,9,9',9'-Tetrakis(4-methylphenyl)-2,2'-bi-9H-fluorene
- EINECS
- CAS No. 854046-47-2
- Density 1.168 g/cm3
- Solubility
- Melting Point 348 °C
- Formula C54H42
- Boiling Point
- Molecular Weight 690.91
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms BDAF;9,9,9,9-Tetrakis(4-methylphenyl)-2,2-bi-9H-fluorene;2-[9,9-di(4-methylphenyl)-fluoren-2-yl]-9,9-di(4-methylphenyl)fluorene;BDAF , 2-[9,9-Di(4-Methylphenyl)-fluoren-2-yl]-9,9-di(4-Methyl
- PSA 0.00000
- LogP 13.31340
9,9,9',9'-Tetrakis(4-methylphenyl)-2,2'-bi-9H-fluorene Specification
The 9,9,9',9'-Tetrakis(4-methylphenyl)-2,2'-bi-9H-fluorene, with the CAS registry number 854046-47-2, is also known as 9,9,9',9'-Tetrakis(4-methylphenyl)-9H,9'H-2,2'-bifluorene. This chemical's molecular formula is C54H42 and molecular weight is 690.91. Its systematic name is called 2,2'-bi-9H-fluorene, 9,9,9',9'-tetrakis(4-methylphenyl)-.
Physical properties of 9,9,9',9'-Tetrakis(4-methylphenyl)-2,2'-bi-9H-fluorene: (1)ACD/LogP: 13.90; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 13.9; (4)ACD/LogD (pH 7.4): 13.9; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000 ; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.677; (11)Molar Refractivity: 222.81 cm3; (12)Molar Volume: 591.2 cm3; (13)Surface Tension: 52.6 dyne/cm; (14)Density: 1.168 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(cc1)C2(c3ccccc3-c4c2cc(cc4)c5ccc-6c(c5)C(c7c6cccc7)(c8ccc(cc8)C)c9ccc(cc9)C)c1ccc(cc1)C
(2)InChI: InChI=1/C54H42/c1-35-13-23-41(24-14-35)53(42-25-15-36(2)16-26-42)49-11-7-5-9-45(49)47-31-21-39(33-51(47)53)40-22-32-48-46-10-6-8-12-50(46)54(52(48)34-40,43-27-17-37(3)18-28-43)44-29-19-38(4)20-30-44/h5-34H,1-4H3
(3)InChIKey: BIXGISJFDUHZEB-UHFFFAOYAH
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