1-bromo-2-[[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methyl]-5-phenyl-3-(trifluoromethyl)benzene

C27H16Br2F6 — CID 86223160

IUPAC1-bromo-2-[[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methyl]-5-phenyl-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(-c2ccccc2)cc(Br)c1Cc1c(Br)cc(-c2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C27H16Br2F6/c28-24-13-18(16-7-3-1-4-8-16)11-22(26(30,31)32)20(24)15-21-23(27(33,34)35)12-19(14-25(21)29)17-9-5-2-6-10-17/h1-14H,15H2
InChIKeyGIPHZPJBVDPTGU-UHFFFAOYSA-N
MW614.22 g/mol
LogP10.17
Rot. Bonds4

About 1-bromo-2-[[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methyl]-5-phenyl-3-(trifluoromethyl)benzene

1-bromo-2-[[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methyl]-5-phenyl-3-(trifluoromethyl)benzene (PubChem CID 86223160) has the molecular formula C27H16Br2F6 and a molecular weight of 614.22 g/mol. Its IUPAC name is 1-bromo-2-[[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methyl]-5-phenyl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-2-[[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methyl]-5-phenyl-3-(trifluoromethyl)benzene
PubChem CID86223160
Molecular FormulaC27H16Br2F6
Molecular Weight614.22 g/mol
Exact Mass611.95
IUPAC Name1-bromo-2-[[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methyl]-5-phenyl-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(-c2ccccc2)cc(Br)c1Cc1c(Br)cc(-c2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C27H16Br2F6/c28-24-13-18(16-7-3-1-4-8-16)11-22(26(30,31)32)20(24)15-21-23(27(33,34)35)12-19(14-25(21)29)17-9-5-2-6-10-17/h1-14H,15H2
InChIKeyGIPHZPJBVDPTGU-UHFFFAOYSA-N
XLogP10.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.22
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-5-phenyl-3-(trifluoromethyl)pyridine
CID 133094917
1-iodo-4-phenyl-2-(trifluoromethyl)benzene
CID 46315008
2,6-dibromo-4-phenylaniline
CID 10663925
ethane;1-ethyl-4-phenyl-2-(trifluoromethyl)benzene
CID 177219455
3-(aminomethyl)-6-phenyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 165352282
1-methyl-3-phenyl-5-(trifluoromethyl)benzene
CID 46315073
1-bromo-4-(3-chlorophenyl)-2-(trifluoromethyl)benzene
CID 125492769
1-bromo-2-tert-butyl-4-phenylbenzene
CID 166064936
1,5-dibromo-2-(chloromethyl)-3-(trifluoromethyl)benzene
CID 171005765
2-bromo-1-fluoro-4-phenylbenzene
CID 2773367
4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
CID 177480216
1,3,5-triphenylbenzene
CID 158331433

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methyl]-5-phenyl-3-(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-2-[[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methyl]-5-phenyl-3-(trifluoromethyl)benzene (CID 86223160) is 1-bromo-2-[[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methyl]-5-phenyl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-2-[[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methyl]-5-phenyl-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-2-[[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methyl]-5-phenyl-3-(trifluoromethyl)benzene is FC(F)(F)c1cc(-c2ccccc2)cc(Br)c1Cc1c(Br)cc(-c2ccccc2)cc1C(F)(F)F.
What is the InChIKey of 1-bromo-2-[[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methyl]-5-phenyl-3-(trifluoromethyl)benzene?
The InChIKey is GIPHZPJBVDPTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16Br2F6/c28-24-13-18(16-7-3-1-4-8-16)11-22(26(30,31)32)20(24)15-21-23(27(33,34)35)12-19(14-25(21)29)17-9-5-2-6-10-17/h1-14H,15H2.
What are the key properties of 1-bromo-2-[[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methyl]-5-phenyl-3-(trifluoromethyl)benzene?
1-bromo-2-[[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methyl]-5-phenyl-3-(trifluoromethyl)benzene has a molecular weight of 614.22 g/mol, XLogP of 10.17, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methyl]-5-phenyl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 86223160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).