2-(3-chlorophenyl)-1,3,5-triphenylbenzene

C30H21Cl — CID 169275191

IUPAC2-(3-chlorophenyl)-1,3,5-triphenylbenzene
SMILESClc1cccc(-c2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)c1
InChIInChI=1S/C30H21Cl/c31-27-18-10-17-25(19-27)30-28(23-13-6-2-7-14-23)20-26(22-11-4-1-5-12-22)21-29(30)24-15-8-3-9-16-24/h1-21H
InChIKeyGGRPIOIQUHKSQJ-UHFFFAOYSA-N
MW416.95 g/mol
LogP9.01
Rot. Bonds4

About 2-(3-chlorophenyl)-1,3,5-triphenylbenzene

2-(3-chlorophenyl)-1,3,5-triphenylbenzene (PubChem CID 169275191) has the molecular formula C30H21Cl and a molecular weight of 416.95 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1,3,5-triphenylbenzene.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1,3,5-triphenylbenzene
PubChem CID169275191
Molecular FormulaC30H21Cl
Molecular Weight416.95 g/mol
Exact Mass416.13
IUPAC Name2-(3-chlorophenyl)-1,3,5-triphenylbenzene
SMILESClc1cccc(-c2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)c1
InChIInChI=1S/C30H21Cl/c31-27-18-10-17-25(19-27)30-28(23-13-6-2-7-14-23)20-26(22-11-4-1-5-12-22)21-29(30)24-15-8-3-9-16-24/h1-21H
InChIKeyGGRPIOIQUHKSQJ-UHFFFAOYSA-N
XLogP9.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.95
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
2-chloro-1,3-difluoro-5-(2,4,6-triphenylphenyl)benzene
CID 176875613
2,3-diphenylbicyclo[3.1.0]hexa-1(6),2,4-triene
CID 19931086
2-phenyl-1-(2-phenylazulen-1-yl)azulene
CID 177444827
2-[3-(3-tert-butylphenyl)phenyl]-1,3,5-triphenylbenzene
CID 140865935
1-(3-chlorophenyl)-3-methyl-2-(2-nitrophenyl)-5-phenylbenzene
CID 149458910
N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(2,4,6-triphenylphenyl)aniline
CID 126492683
2-(2-hydroxy-4,6-diphenylphenyl)-3,5-diphenylphenol
CID 19797768
1-phenyl-3-(3-phenylphenyl)-5-[2-phenyl-5-(3-phenylphenyl)phenyl]benzene
CID 143438062
1,1'-biphenyl;3-chloro-2-phenylbicyclo[3.1.0]hexa-1,3,5-triene
CID 68955843
3,6-bis(3-chlorophenyl)benzene-1,2,4,5-tetracarboxylic acid
CID 139733778
2-(3-chloro-5-phenylphenyl)phenol
CID 175394948

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1,3,5-triphenylbenzene?
The IUPAC name of 2-(3-chlorophenyl)-1,3,5-triphenylbenzene (CID 169275191) is 2-(3-chlorophenyl)-1,3,5-triphenylbenzene.
What is the SMILES notation for 2-(3-chlorophenyl)-1,3,5-triphenylbenzene?
The canonical SMILES for 2-(3-chlorophenyl)-1,3,5-triphenylbenzene is Clc1cccc(-c2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1,3,5-triphenylbenzene?
The InChIKey is GGRPIOIQUHKSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21Cl/c31-27-18-10-17-25(19-27)30-28(23-13-6-2-7-14-23)20-26(22-11-4-1-5-12-22)21-29(30)24-15-8-3-9-16-24/h1-21H.
What are the key properties of 2-(3-chlorophenyl)-1,3,5-triphenylbenzene?
2-(3-chlorophenyl)-1,3,5-triphenylbenzene has a molecular weight of 416.95 g/mol, XLogP of 9.01, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1,3,5-triphenylbenzene is sourced from PubChem (CID 169275191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).