1-(3-bromophenyl)-4-chloro-2-phenylbenzene

C18H12BrCl — CID 166487710

IUPAC1-(3-bromophenyl)-4-chloro-2-phenylbenzene
SMILESClc1ccc(-c2cccc(Br)c2)c(-c2ccccc2)c1
InChIInChI=1S/C18H12BrCl/c19-15-8-4-7-14(11-15)17-10-9-16(20)12-18(17)13-5-2-1-3-6-13/h1-12H
InChIKeyPORASPOKCLYMAQ-UHFFFAOYSA-N
MW343.65 g/mol
LogP6.44
Rot. Bonds2

About 1-(3-bromophenyl)-4-chloro-2-phenylbenzene

1-(3-bromophenyl)-4-chloro-2-phenylbenzene (PubChem CID 166487710) has the molecular formula C18H12BrCl and a molecular weight of 343.65 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4-chloro-2-phenylbenzene.

Molecular Properties

Compound Name1-(3-bromophenyl)-4-chloro-2-phenylbenzene
PubChem CID166487710
Molecular FormulaC18H12BrCl
Molecular Weight343.65 g/mol
Exact Mass341.98
IUPAC Name1-(3-bromophenyl)-4-chloro-2-phenylbenzene
SMILESClc1ccc(-c2cccc(Br)c2)c(-c2ccccc2)c1
InChIInChI=1S/C18H12BrCl/c19-15-8-4-7-14(11-15)17-10-9-16(20)12-18(17)13-5-2-1-3-6-13/h1-12H
InChIKeyPORASPOKCLYMAQ-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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Related Compounds

1-bromo-3-[4-(4-chlorophenyl)phenyl]benzene
CID 71132921
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
1-bromo-3-chlorobenzene;chlorobenzene
CID 70518060
1-bromo-3-phenylbenzene
CID 16449
4-bromo-2-chloro-1-phenylbenzene
CID 13457416
1-(4-chloro-2-phenylphenyl)naphthalene
CID 163255490
2-(2-bromo-4-chlorophenyl)-3-phenylnaphthalene
CID 170343063
4-(3-bromophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-5-amine
CID 43560931
1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
CID 126764180
4-(3-bromophenyl)-3-(5-chloro-2-fluorophenyl)-1,2-oxazol-5-amine
CID 43560930
4-chloro-2-fluoro-1-phenylbenzene
CID 18364130
1,4-dichloro-2-(3-phenylphenyl)benzene
CID 86205673

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-4-chloro-2-phenylbenzene?
The IUPAC name of 1-(3-bromophenyl)-4-chloro-2-phenylbenzene (CID 166487710) is 1-(3-bromophenyl)-4-chloro-2-phenylbenzene.
What is the SMILES notation for 1-(3-bromophenyl)-4-chloro-2-phenylbenzene?
The canonical SMILES for 1-(3-bromophenyl)-4-chloro-2-phenylbenzene is Clc1ccc(-c2cccc(Br)c2)c(-c2ccccc2)c1.
What is the InChIKey of 1-(3-bromophenyl)-4-chloro-2-phenylbenzene?
The InChIKey is PORASPOKCLYMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrCl/c19-15-8-4-7-14(11-15)17-10-9-16(20)12-18(17)13-5-2-1-3-6-13/h1-12H.
What are the key properties of 1-(3-bromophenyl)-4-chloro-2-phenylbenzene?
1-(3-bromophenyl)-4-chloro-2-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-(3-bromophenyl)-4-chloro-2-phenylbenzene is sourced from PubChem (CID 166487710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).