1-(4-bromophenyl)-2-(4-chlorophenyl)-6-fluoro-4-(4-fluorophenyl)-5-methyl-3-(4-methylphenyl)benzene

C32H22BrClF2 — CID 141002688

IUPAC1-(4-bromophenyl)-2-(4-chlorophenyl)-6-fluoro-4-(4-fluorophenyl)-5-methyl-3-(4-methylphenyl)benzene
SMILESCc1ccc(-c2c(-c3ccc(F)cc3)c(C)c(F)c(-c3ccc(Br)cc3)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C32H22BrClF2/c1-19-3-5-22(6-4-19)29-28(21-11-17-27(35)18-12-21)20(2)32(36)31(24-7-13-25(33)14-8-24)30(29)23-9-15-26(34)16-10-23/h3-18H,1-2H3
InChIKeyLWZIMPCELPSBCV-UHFFFAOYSA-N
MW559.88 g/mol
LogP10.67
Rot. Bonds4

About 1-(4-bromophenyl)-2-(4-chlorophenyl)-6-fluoro-4-(4-fluorophenyl)-5-methyl-3-(4-methylphenyl)benzene

1-(4-bromophenyl)-2-(4-chlorophenyl)-6-fluoro-4-(4-fluorophenyl)-5-methyl-3-(4-methylphenyl)benzene (PubChem CID 141002688) has the molecular formula C32H22BrClF2 and a molecular weight of 559.88 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(4-chlorophenyl)-6-fluoro-4-(4-fluorophenyl)-5-methyl-3-(4-methylphenyl)benzene.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(4-chlorophenyl)-6-fluoro-4-(4-fluorophenyl)-5-methyl-3-(4-methylphenyl)benzene
PubChem CID141002688
Molecular FormulaC32H22BrClF2
Molecular Weight559.88 g/mol
Exact Mass558.06
IUPAC Name1-(4-bromophenyl)-2-(4-chlorophenyl)-6-fluoro-4-(4-fluorophenyl)-5-methyl-3-(4-methylphenyl)benzene
SMILESCc1ccc(-c2c(-c3ccc(F)cc3)c(C)c(F)c(-c3ccc(Br)cc3)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C32H22BrClF2/c1-19-3-5-22(6-4-19)29-28(21-11-17-27(35)18-12-21)20(2)32(36)31(24-7-13-25(33)14-8-24)30(29)23-9-15-26(34)16-10-23/h3-18H,1-2H3
InChIKeyLWZIMPCELPSBCV-UHFFFAOYSA-N
XLogP10.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.88
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(4-chlorophenyl)-6-fluoro-4-(4-fluorophenyl)-5-methyl-3-(4-methylphenyl)benzene?
The IUPAC name of 1-(4-bromophenyl)-2-(4-chlorophenyl)-6-fluoro-4-(4-fluorophenyl)-5-methyl-3-(4-methylphenyl)benzene (CID 141002688) is 1-(4-bromophenyl)-2-(4-chlorophenyl)-6-fluoro-4-(4-fluorophenyl)-5-methyl-3-(4-methylphenyl)benzene.
What is the SMILES notation for 1-(4-bromophenyl)-2-(4-chlorophenyl)-6-fluoro-4-(4-fluorophenyl)-5-methyl-3-(4-methylphenyl)benzene?
The canonical SMILES for 1-(4-bromophenyl)-2-(4-chlorophenyl)-6-fluoro-4-(4-fluorophenyl)-5-methyl-3-(4-methylphenyl)benzene is Cc1ccc(-c2c(-c3ccc(F)cc3)c(C)c(F)c(-c3ccc(Br)cc3)c2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(4-chlorophenyl)-6-fluoro-4-(4-fluorophenyl)-5-methyl-3-(4-methylphenyl)benzene?
The InChIKey is LWZIMPCELPSBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22BrClF2/c1-19-3-5-22(6-4-19)29-28(21-11-17-27(35)18-12-21)20(2)32(36)31(24-7-13-25(33)14-8-24)30(29)23-9-15-26(34)16-10-23/h3-18H,1-2H3.
What are the key properties of 1-(4-bromophenyl)-2-(4-chlorophenyl)-6-fluoro-4-(4-fluorophenyl)-5-methyl-3-(4-methylphenyl)benzene?
1-(4-bromophenyl)-2-(4-chlorophenyl)-6-fluoro-4-(4-fluorophenyl)-5-methyl-3-(4-methylphenyl)benzene has a molecular weight of 559.88 g/mol, XLogP of 10.67, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(4-chlorophenyl)-6-fluoro-4-(4-fluorophenyl)-5-methyl-3-(4-methylphenyl)benzene is sourced from PubChem (CID 141002688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).