1-bromo-2-(4-chlorophenyl)-4-phenylbenzene

C18H12BrCl — CID 166487719

IUPAC1-bromo-2-(4-chlorophenyl)-4-phenylbenzene
SMILESClc1ccc(-c2cc(-c3ccccc3)ccc2Br)cc1
InChIInChI=1S/C18H12BrCl/c19-18-11-8-15(13-4-2-1-3-5-13)12-17(18)14-6-9-16(20)10-7-14/h1-12H
InChIKeyGCDMFSJVTJHGHW-UHFFFAOYSA-N
MW343.65 g/mol
LogP6.44
Rot. Bonds2

About 1-bromo-2-(4-chlorophenyl)-4-phenylbenzene

1-bromo-2-(4-chlorophenyl)-4-phenylbenzene (PubChem CID 166487719) has the molecular formula C18H12BrCl and a molecular weight of 343.65 g/mol. Its IUPAC name is 1-bromo-2-(4-chlorophenyl)-4-phenylbenzene.

Molecular Properties

Compound Name1-bromo-2-(4-chlorophenyl)-4-phenylbenzene
PubChem CID166487719
Molecular FormulaC18H12BrCl
Molecular Weight343.65 g/mol
Exact Mass341.98
IUPAC Name1-bromo-2-(4-chlorophenyl)-4-phenylbenzene
SMILESClc1ccc(-c2cc(-c3ccccc3)ccc2Br)cc1
InChIInChI=1S/C18H12BrCl/c19-18-11-8-15(13-4-2-1-3-5-13)12-17(18)14-6-9-16(20)10-7-14/h1-12H
InChIKeyGCDMFSJVTJHGHW-UHFFFAOYSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.65
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(4-chlorophenyl)-4-phenylbenzene?
The IUPAC name of 1-bromo-2-(4-chlorophenyl)-4-phenylbenzene (CID 166487719) is 1-bromo-2-(4-chlorophenyl)-4-phenylbenzene.
What is the SMILES notation for 1-bromo-2-(4-chlorophenyl)-4-phenylbenzene?
The canonical SMILES for 1-bromo-2-(4-chlorophenyl)-4-phenylbenzene is Clc1ccc(-c2cc(-c3ccccc3)ccc2Br)cc1.
What is the InChIKey of 1-bromo-2-(4-chlorophenyl)-4-phenylbenzene?
The InChIKey is GCDMFSJVTJHGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrCl/c19-18-11-8-15(13-4-2-1-3-5-13)12-17(18)14-6-9-16(20)10-7-14/h1-12H.
What are the key properties of 1-bromo-2-(4-chlorophenyl)-4-phenylbenzene?
1-bromo-2-(4-chlorophenyl)-4-phenylbenzene has a molecular weight of 343.65 g/mol, XLogP of 6.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(4-chlorophenyl)-4-phenylbenzene is sourced from PubChem (CID 166487719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).