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

C25H20 — CID 59171641

IUPAC4-methyl-1-phenyl-2-(2-phenylphenyl)benzene
SMILESCc1ccc(-c2ccccc2)c(-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C25H20/c1-19-16-17-23(21-12-6-3-7-13-21)25(18-19)24-15-9-8-14-22(24)20-10-4-2-5-11-20/h2-18H,1H3
InChIKeyVWRGNFWARMUKBU-UHFFFAOYSA-N
MW320.44 g/mol
LogP7.00
Rot. Bonds3

About 4-methyl-1-phenyl-2-(2-phenylphenyl)benzene

4-methyl-1-phenyl-2-(2-phenylphenyl)benzene (PubChem CID 59171641) has the molecular formula C25H20 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-methyl-1-phenyl-2-(2-phenylphenyl)benzene.

Molecular Properties

Compound Name4-methyl-1-phenyl-2-(2-phenylphenyl)benzene
PubChem CID59171641
Molecular FormulaC25H20
Molecular Weight320.44 g/mol
Exact Mass320.16
IUPAC Name4-methyl-1-phenyl-2-(2-phenylphenyl)benzene
SMILESCc1ccc(-c2ccccc2)c(-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C25H20/c1-19-16-17-23(21-12-6-3-7-13-21)25(18-19)24-15-9-8-14-22(24)20-10-4-2-5-11-20/h2-18H,1H3
InChIKeyVWRGNFWARMUKBU-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 4-methyl-1-phenyl-2-(2-phenylphenyl)benzene?
The IUPAC name of 4-methyl-1-phenyl-2-(2-phenylphenyl)benzene (CID 59171641) is 4-methyl-1-phenyl-2-(2-phenylphenyl)benzene.
What is the SMILES notation for 4-methyl-1-phenyl-2-(2-phenylphenyl)benzene?
The canonical SMILES for 4-methyl-1-phenyl-2-(2-phenylphenyl)benzene is Cc1ccc(-c2ccccc2)c(-c2ccccc2-c2ccccc2)c1.
What is the InChIKey of 4-methyl-1-phenyl-2-(2-phenylphenyl)benzene?
The InChIKey is VWRGNFWARMUKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20/c1-19-16-17-23(21-12-6-3-7-13-21)25(18-19)24-15-9-8-14-22(24)20-10-4-2-5-11-20/h2-18H,1H3.
What are the key properties of 4-methyl-1-phenyl-2-(2-phenylphenyl)benzene?
4-methyl-1-phenyl-2-(2-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 4-methyl-1-phenyl-2-(2-phenylphenyl)benzene is sourced from PubChem (CID 59171641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).