1-[chloro-bis(4-phenylphenyl)methyl]-4-phenylbenzene

C37H27Cl — CID 14292466

IUPAC1-[chloro-bis(4-phenylphenyl)methyl]-4-phenylbenzene
SMILESClC(c1ccc(-c2ccccc2)cc1)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C37H27Cl/c38-37(34-22-16-31(17-23-34)28-10-4-1-5-11-28,35-24-18-32(19-25-35)29-12-6-2-7-13-29)36-26-20-33(21-27-36)30-14-8-3-9-15-30/h1-27H
InChIKeyVCWALPPIUQCSLK-UHFFFAOYSA-N
MW507.08 g/mol
LogP10.22
Rot. Bonds6

About 1-[chloro-bis(4-phenylphenyl)methyl]-4-phenylbenzene

1-[chloro-bis(4-phenylphenyl)methyl]-4-phenylbenzene (PubChem CID 14292466) has the molecular formula C37H27Cl and a molecular weight of 507.08 g/mol. Its IUPAC name is 1-[chloro-bis(4-phenylphenyl)methyl]-4-phenylbenzene.

Molecular Properties

Compound Name1-[chloro-bis(4-phenylphenyl)methyl]-4-phenylbenzene
PubChem CID14292466
Molecular FormulaC37H27Cl
Molecular Weight507.08 g/mol
Exact Mass506.18
IUPAC Name1-[chloro-bis(4-phenylphenyl)methyl]-4-phenylbenzene
SMILESClC(c1ccc(-c2ccccc2)cc1)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C37H27Cl/c38-37(34-22-16-31(17-23-34)28-10-4-1-5-11-28,35-24-18-32(19-25-35)29-12-6-2-7-13-29)36-26-20-33(21-27-36)30-14-8-3-9-15-30/h1-27H
InChIKeyVCWALPPIUQCSLK-UHFFFAOYSA-N
XLogP10.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.08
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-(1,1-dichloroethyl)-4-phenylbenzene
CID 15702295
1-(3-chloro-2,3-dimethylbutan-2-yl)-4-phenylbenzene
CID 12808931
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
CID 162140615
CID 162140615
[chloro(diphenyl)methyl]benzene;dichloromethane
CID 162037283
tris(4-phenylphenyl)methanamine
CID 4549118
beryllium;1,1'-biphenyl;hydride
CID 173156439
benzene;tris(1,1'-biphenyl)
CID 162155747
[4-[chloro(diphenyl)methyl]phenoxy]cyclodecapentaene
CID 138738136
1-[chloro(diphenyl)methyl]-4-phenoxybenzene
CID 15182049
1-(1,1-diphenylethyl)-4-phenylbenzene
CID 143113230
phenyl-bis(4-phenylphenyl)methanamine
CID 70664322

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-bis(4-phenylphenyl)methyl]-4-phenylbenzene?
The IUPAC name of 1-[chloro-bis(4-phenylphenyl)methyl]-4-phenylbenzene (CID 14292466) is 1-[chloro-bis(4-phenylphenyl)methyl]-4-phenylbenzene.
What is the SMILES notation for 1-[chloro-bis(4-phenylphenyl)methyl]-4-phenylbenzene?
The canonical SMILES for 1-[chloro-bis(4-phenylphenyl)methyl]-4-phenylbenzene is ClC(c1ccc(-c2ccccc2)cc1)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[chloro-bis(4-phenylphenyl)methyl]-4-phenylbenzene?
The InChIKey is VCWALPPIUQCSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27Cl/c38-37(34-22-16-31(17-23-34)28-10-4-1-5-11-28,35-24-18-32(19-25-35)29-12-6-2-7-13-29)36-26-20-33(21-27-36)30-14-8-3-9-15-30/h1-27H.
What are the key properties of 1-[chloro-bis(4-phenylphenyl)methyl]-4-phenylbenzene?
1-[chloro-bis(4-phenylphenyl)methyl]-4-phenylbenzene has a molecular weight of 507.08 g/mol, XLogP of 10.22, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-bis(4-phenylphenyl)methyl]-4-phenylbenzene is sourced from PubChem (CID 14292466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).