(2,6-dibromo-4-phenylphenyl)-[4-phenyl-2,6-bis(trifluoromethyl)phenyl]methanol

C27H16Br2F6O — CID 101389703

IUPAC(2,6-dibromo-4-phenylphenyl)-[4-phenyl-2,6-bis(trifluoromethyl)phenyl]methanol
SMILESOC(c1c(Br)cc(-c2ccccc2)cc1Br)c1c(C(F)(F)F)cc(-c2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C27H16Br2F6O/c28-21-13-18(16-9-5-2-6-10-16)14-22(29)24(21)25(36)23-19(26(30,31)32)11-17(12-20(23)27(33,34)35)15-7-3-1-4-8-15/h1-14,25,36H
InChIKeyVPCYGQVVNFQWHX-UHFFFAOYSA-N
MW630.22 g/mol
LogP9.66
Rot. Bonds4

About (2,6-dibromo-4-phenylphenyl)-[4-phenyl-2,6-bis(trifluoromethyl)phenyl]methanol

(2,6-dibromo-4-phenylphenyl)-[4-phenyl-2,6-bis(trifluoromethyl)phenyl]methanol (PubChem CID 101389703) has the molecular formula C27H16Br2F6O and a molecular weight of 630.22 g/mol. Its IUPAC name is (2,6-dibromo-4-phenylphenyl)-[4-phenyl-2,6-bis(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(2,6-dibromo-4-phenylphenyl)-[4-phenyl-2,6-bis(trifluoromethyl)phenyl]methanol
PubChem CID101389703
Molecular FormulaC27H16Br2F6O
Molecular Weight630.22 g/mol
Exact Mass627.95
IUPAC Name(2,6-dibromo-4-phenylphenyl)-[4-phenyl-2,6-bis(trifluoromethyl)phenyl]methanol
SMILESOC(c1c(Br)cc(-c2ccccc2)cc1Br)c1c(C(F)(F)F)cc(-c2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C27H16Br2F6O/c28-21-13-18(16-9-5-2-6-10-16)14-22(29)24(21)25(36)23-19(26(30,31)32)11-17(12-20(23)27(33,34)35)15-7-3-1-4-8-15/h1-14,25,36H
InChIKeyVPCYGQVVNFQWHX-UHFFFAOYSA-N
XLogP9.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.22
LogP ≤ 59.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Bis[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methanol
CID 101389705
[3,5-Bis[(5-bromo-2-fluorophenyl)-hydroxymethyl]-2,4,6-triethylphenyl]-(5-bromo-2-fluorophenyl)methanol
CID 139256776
(2-((3-Bromophenyl)difluoromethyl)-4,5-dimethylphenyl)methanol
CID 139592636
(1S,2R)-1-(6-bromonaphthalen-2-yl)-2-fluoro-2-(trifluoromethyl)but-3-en-1-ol
CID 165415767
1-Bromo-2-[[[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]-phenylmethoxy]-phenylmethyl]-5-fluoro-3-(trifluoromethyl)benzene
CID 57251097
1-(1-Bromo-3-fluoronaphthalen-2-yl)-2-(4-propylcyclohexyl)prop-2-en-1-ol
CID 57801992
1-(3-Bromo-1-fluoronaphthalen-2-yl)-2-(4-propylcyclohexyl)prop-2-en-1-ol
CID 58995687
1-(3-Bromo-6,7-difluoronaphthalen-2-yl)-2-(4-propylcyclohexyl)prop-2-en-1-ol
CID 58995690
3-(2,6-Dibromophenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 59009919
[4-(4-Bromophenyl)phenyl]-[3-(trifluoromethyl)phenyl]methanol
CID 70630111
[3-Bromo-4-[3-(3,5-difluorophenyl)-4-(3,4-dimethylphenyl)but-1-ynyl]phenyl]methanol
CID 90139525
1-(2-Bromo-3,6-dimethylphenyl)-2,2,2-trifluoroethanol
CID 129259821

Frequently Asked Questions

What is the IUPAC name of (2,6-dibromo-4-phenylphenyl)-[4-phenyl-2,6-bis(trifluoromethyl)phenyl]methanol?
The IUPAC name of (2,6-dibromo-4-phenylphenyl)-[4-phenyl-2,6-bis(trifluoromethyl)phenyl]methanol (CID 101389703) is (2,6-dibromo-4-phenylphenyl)-[4-phenyl-2,6-bis(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (2,6-dibromo-4-phenylphenyl)-[4-phenyl-2,6-bis(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (2,6-dibromo-4-phenylphenyl)-[4-phenyl-2,6-bis(trifluoromethyl)phenyl]methanol is OC(c1c(Br)cc(-c2ccccc2)cc1Br)c1c(C(F)(F)F)cc(-c2ccccc2)cc1C(F)(F)F.
What is the InChIKey of (2,6-dibromo-4-phenylphenyl)-[4-phenyl-2,6-bis(trifluoromethyl)phenyl]methanol?
The InChIKey is VPCYGQVVNFQWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16Br2F6O/c28-21-13-18(16-9-5-2-6-10-16)14-22(29)24(21)25(36)23-19(26(30,31)32)11-17(12-20(23)27(33,34)35)15-7-3-1-4-8-15/h1-14,25,36H.
What are the key properties of (2,6-dibromo-4-phenylphenyl)-[4-phenyl-2,6-bis(trifluoromethyl)phenyl]methanol?
(2,6-dibromo-4-phenylphenyl)-[4-phenyl-2,6-bis(trifluoromethyl)phenyl]methanol has a molecular weight of 630.22 g/mol, XLogP of 9.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dibromo-4-phenylphenyl)-[4-phenyl-2,6-bis(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 101389703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).