1-methyl-2-phenyl-3-(3-phenylphenyl)benzene

C25H20 — CID 59171668

IUPAC1-methyl-2-phenyl-3-(3-phenylphenyl)benzene
SMILESCc1cccc(-c2cccc(-c3ccccc3)c2)c1-c1ccccc1
InChIInChI=1S/C25H20/c1-19-10-8-17-24(25(19)21-13-6-3-7-14-21)23-16-9-15-22(18-23)20-11-4-2-5-12-20/h2-18H,1H3
InChIKeyWZXQZXZRJMMQAV-UHFFFAOYSA-N
MW320.44 g/mol
LogP7.00
Rot. Bonds3

About 1-methyl-2-phenyl-3-(3-phenylphenyl)benzene

1-methyl-2-phenyl-3-(3-phenylphenyl)benzene (PubChem CID 59171668) has the molecular formula C25H20 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-methyl-2-phenyl-3-(3-phenylphenyl)benzene.

Molecular Properties

Compound Name1-methyl-2-phenyl-3-(3-phenylphenyl)benzene
PubChem CID59171668
Molecular FormulaC25H20
Molecular Weight320.44 g/mol
Exact Mass320.16
IUPAC Name1-methyl-2-phenyl-3-(3-phenylphenyl)benzene
SMILESCc1cccc(-c2cccc(-c3ccccc3)c2)c1-c1ccccc1
InChIInChI=1S/C25H20/c1-19-10-8-17-24(25(19)21-13-6-3-7-14-21)23-16-9-15-22(18-23)20-11-4-2-5-12-20/h2-18H,1H3
InChIKeyWZXQZXZRJMMQAV-UHFFFAOYSA-N
XLogP7.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.44
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenyl-3-(3-phenylphenyl)benzene?
The IUPAC name of 1-methyl-2-phenyl-3-(3-phenylphenyl)benzene (CID 59171668) is 1-methyl-2-phenyl-3-(3-phenylphenyl)benzene.
What is the SMILES notation for 1-methyl-2-phenyl-3-(3-phenylphenyl)benzene?
The canonical SMILES for 1-methyl-2-phenyl-3-(3-phenylphenyl)benzene is Cc1cccc(-c2cccc(-c3ccccc3)c2)c1-c1ccccc1.
What is the InChIKey of 1-methyl-2-phenyl-3-(3-phenylphenyl)benzene?
The InChIKey is WZXQZXZRJMMQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20/c1-19-10-8-17-24(25(19)21-13-6-3-7-14-21)23-16-9-15-22(18-23)20-11-4-2-5-12-20/h2-18H,1H3.
What are the key properties of 1-methyl-2-phenyl-3-(3-phenylphenyl)benzene?
1-methyl-2-phenyl-3-(3-phenylphenyl)benzene has a molecular weight of 320.44 g/mol, XLogP of 7.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenyl-3-(3-phenylphenyl)benzene is sourced from PubChem (CID 59171668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).