2-bromo-1-chloro-4-(3-phenylphenyl)benzene

C18H12BrCl — CID 178064983

IUPAC2-bromo-1-chloro-4-(3-phenylphenyl)benzene
SMILESClc1ccc(-c2cccc(-c3ccccc3)c2)cc1Br
InChIInChI=1S/C18H12BrCl/c19-17-12-16(9-10-18(17)20)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-12H
InChIKeyLZMWYXZVZAROJB-UHFFFAOYSA-N
MW343.65 g/mol
LogP6.44
Rot. Bonds2

About 2-bromo-1-chloro-4-(3-phenylphenyl)benzene

2-bromo-1-chloro-4-(3-phenylphenyl)benzene (PubChem CID 178064983) has the molecular formula C18H12BrCl and a molecular weight of 343.65 g/mol. Its IUPAC name is 2-bromo-1-chloro-4-(3-phenylphenyl)benzene.

Molecular Properties

Compound Name2-bromo-1-chloro-4-(3-phenylphenyl)benzene
PubChem CID178064983
Molecular FormulaC18H12BrCl
Molecular Weight343.65 g/mol
Exact Mass341.98
IUPAC Name2-bromo-1-chloro-4-(3-phenylphenyl)benzene
SMILESClc1ccc(-c2cccc(-c3ccccc3)c2)cc1Br
InChIInChI=1S/C18H12BrCl/c19-17-12-16(9-10-18(17)20)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-12H
InChIKeyLZMWYXZVZAROJB-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

1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615
2-(3-bromo-4-chlorophenyl)-4-chloro-6-phenylpyrimidine
CID 115565748
2-bromo-1-(3-bromo-4-chlorophenyl)-3-chlorobenzene
CID 86198617
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
2-(2-bromo-6-chlorophenyl)-6-phenylnaphthalene
CID 177097158
1-(2-bromophenyl)-2-chloro-4-phenylbenzene
CID 163289493
1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
CID 126764180
3-(3-bromo-4-chlorophenyl)-5-phenyl-1H-1,2,4-triazole
CID 107989225

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-chloro-4-(3-phenylphenyl)benzene?
The IUPAC name of 2-bromo-1-chloro-4-(3-phenylphenyl)benzene (CID 178064983) is 2-bromo-1-chloro-4-(3-phenylphenyl)benzene.
What is the SMILES notation for 2-bromo-1-chloro-4-(3-phenylphenyl)benzene?
The canonical SMILES for 2-bromo-1-chloro-4-(3-phenylphenyl)benzene is Clc1ccc(-c2cccc(-c3ccccc3)c2)cc1Br.
What is the InChIKey of 2-bromo-1-chloro-4-(3-phenylphenyl)benzene?
The InChIKey is LZMWYXZVZAROJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrCl/c19-17-12-16(9-10-18(17)20)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-12H.
What are the key properties of 2-bromo-1-chloro-4-(3-phenylphenyl)benzene?
2-bromo-1-chloro-4-(3-phenylphenyl)benzene 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 2-bromo-1-chloro-4-(3-phenylphenyl)benzene is sourced from PubChem (CID 178064983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).