1,1'-biphenyl;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene

C38H34 — CID 159346959

IUPAC1,1'-biphenyl;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene
SMILESCc1cccc(-c2ccccc2)c1.Cc1ccccc1-c1ccccc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/2C13H12.C12H10/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h2*2-10H,1H3;1-10H
InChIKeyLGVNTTRPNFZBAF-UHFFFAOYSA-N
MW490.69 g/mol
LogP10.68
Rot. Bonds3

About 1,1'-biphenyl;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene

1,1'-biphenyl;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene (PubChem CID 159346959) has the molecular formula C38H34 and a molecular weight of 490.69 g/mol. Its IUPAC name is 1,1'-biphenyl;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene.

Molecular Properties

Compound Name1,1'-biphenyl;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene
PubChem CID159346959
Molecular FormulaC38H34
Molecular Weight490.69 g/mol
Exact Mass490.27
IUPAC Name1,1'-biphenyl;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene
SMILESCc1cccc(-c2ccccc2)c1.Cc1ccccc1-c1ccccc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/2C13H12.C12H10/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h2*2-10H,1H3;1-10H
InChIKeyLGVNTTRPNFZBAF-UHFFFAOYSA-N
XLogP10.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.69
LogP ≤ 510.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2-methyl-1,3-diphenylbenzene;1-methyl-2-[3-(4-phenylphenyl)phenyl]benzene;1-methyl-3-[2-(4-phenylphenyl)phenyl]benzene;1-methyl-3-[3-(4-phenylphenyl)phenyl]benzene;1-methyl-3-phenyl-5-(4-phenylphenyl)benzene;1-methyl-4-[2-(4-phenylphenyl)phenyl]benzene;1-methyl-4-[3-(4-phenylphenyl)phenyl]benzene
CID 165013304

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene?
The IUPAC name of 1,1'-biphenyl;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene (CID 159346959) is 1,1'-biphenyl;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene.
What is the SMILES notation for 1,1'-biphenyl;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene?
The canonical SMILES for 1,1'-biphenyl;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene is Cc1cccc(-c2ccccc2)c1.Cc1ccccc1-c1ccccc1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene?
The InChIKey is LGVNTTRPNFZBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H12.C12H10/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h2*2-10H,1H3;1-10H.
What are the key properties of 1,1'-biphenyl;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene?
1,1'-biphenyl;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene has a molecular weight of 490.69 g/mol, XLogP of 10.68, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene is sourced from PubChem (CID 159346959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).