2-(2-bromo-4-chlorophenyl)-3-phenylnaphthalene

C22H14BrCl — CID 170343063

IUPAC2-(2-bromo-4-chlorophenyl)-3-phenylnaphthalene
SMILESClc1ccc(-c2cc3ccccc3cc2-c2ccccc2)c(Br)c1
InChIInChI=1S/C22H14BrCl/c23-22-14-18(24)10-11-19(22)21-13-17-9-5-4-8-16(17)12-20(21)15-6-2-1-3-7-15/h1-14H
InChIKeyYLFDNYCBLZFUOZ-UHFFFAOYSA-N
MW393.71 g/mol
LogP7.59
Rot. Bonds2

About 2-(2-bromo-4-chlorophenyl)-3-phenylnaphthalene

2-(2-bromo-4-chlorophenyl)-3-phenylnaphthalene (PubChem CID 170343063) has the molecular formula C22H14BrCl and a molecular weight of 393.71 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenyl)-3-phenylnaphthalene.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenyl)-3-phenylnaphthalene
PubChem CID170343063
Molecular FormulaC22H14BrCl
Molecular Weight393.71 g/mol
Exact Mass392.00
IUPAC Name2-(2-bromo-4-chlorophenyl)-3-phenylnaphthalene
SMILESClc1ccc(-c2cc3ccccc3cc2-c2ccccc2)c(Br)c1
InChIInChI=1S/C22H14BrCl/c23-22-14-18(24)10-11-19(22)21-13-17-9-5-4-8-16(17)12-20(21)15-6-2-1-3-7-15/h1-14H
InChIKeyYLFDNYCBLZFUOZ-UHFFFAOYSA-N
XLogP7.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.71
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-(2-bromo-4-chlorophenyl)-3-phenylnaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-3-(3-chlorophenyl)naphthalene
CID 152625218
2-(2-bromo-4-chlorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 145377699
1-(3-bromophenyl)-4-chloro-2-phenylbenzene
CID 166487710
1-(4-chloro-2-phenylphenyl)naphthalene
CID 163255490
2-(2-chlorophenyl)-3-(2-phenylphenyl)naphthalene
CID 171525540
1-(6-chloronaphthalen-2-yl)-4-phenylnaphthalene
CID 164745827
4-chloro-2-fluoro-1-phenylbenzene
CID 18364130
1-bromo-4-[4-bromo-2,5-bis(4-phenylphenyl)phenyl]-2,5-bis(4-phenylphenyl)benzene
CID 175787735
1-(2-bromophenyl)-3-deuterio-2,4,5-triphenylbenzene
CID 175805471
2-bromo-4-chloro-1-(4-fluorophenyl)benzene
CID 168802728
2-bromo-3-[2-(2-bromo-4-chlorophenyl)ethynyl]naphthalene
CID 164518667
2,4-dichloro-1-phenylbenzene;methane;dihydrochloride
CID 175257985

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenyl)-3-phenylnaphthalene?
The IUPAC name of 2-(2-bromo-4-chlorophenyl)-3-phenylnaphthalene (CID 170343063) is 2-(2-bromo-4-chlorophenyl)-3-phenylnaphthalene.
What is the SMILES notation for 2-(2-bromo-4-chlorophenyl)-3-phenylnaphthalene?
The canonical SMILES for 2-(2-bromo-4-chlorophenyl)-3-phenylnaphthalene is Clc1ccc(-c2cc3ccccc3cc2-c2ccccc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-chlorophenyl)-3-phenylnaphthalene?
The InChIKey is YLFDNYCBLZFUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrCl/c23-22-14-18(24)10-11-19(22)21-13-17-9-5-4-8-16(17)12-20(21)15-6-2-1-3-7-15/h1-14H.
What are the key properties of 2-(2-bromo-4-chlorophenyl)-3-phenylnaphthalene?
2-(2-bromo-4-chlorophenyl)-3-phenylnaphthalene has a molecular weight of 393.71 g/mol, XLogP of 7.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenyl)-3-phenylnaphthalene is sourced from PubChem (CID 170343063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).