2-methyl-1-[2-methyl-3-(4-methylphenyl)phenyl]-3-(4-methylphenyl)benzene

C28H26 — CID 157107498

IUPAC2-methyl-1-[2-methyl-3-(4-methylphenyl)phenyl]-3-(4-methylphenyl)benzene
SMILESCc1ccc(-c2cccc(-c3cccc(-c4ccc(C)cc4)c3C)c2C)cc1
InChIInChI=1S/C28H26/c1-19-11-15-23(16-12-19)25-7-5-9-27(21(25)3)28-10-6-8-26(22(28)4)24-17-13-20(2)14-18-24/h5-18H,1-4H3
InChIKeyAGLSLOJMPDUULA-UHFFFAOYSA-N
MW362.52 g/mol
LogP7.92
Rot. Bonds3

About 2-methyl-1-[2-methyl-3-(4-methylphenyl)phenyl]-3-(4-methylphenyl)benzene

2-methyl-1-[2-methyl-3-(4-methylphenyl)phenyl]-3-(4-methylphenyl)benzene (PubChem CID 157107498) has the molecular formula C28H26 and a molecular weight of 362.52 g/mol. Its IUPAC name is 2-methyl-1-[2-methyl-3-(4-methylphenyl)phenyl]-3-(4-methylphenyl)benzene.

Molecular Properties

Compound Name2-methyl-1-[2-methyl-3-(4-methylphenyl)phenyl]-3-(4-methylphenyl)benzene
PubChem CID157107498
Molecular FormulaC28H26
Molecular Weight362.52 g/mol
Exact Mass362.20
IUPAC Name2-methyl-1-[2-methyl-3-(4-methylphenyl)phenyl]-3-(4-methylphenyl)benzene
SMILESCc1ccc(-c2cccc(-c3cccc(-c4ccc(C)cc4)c3C)c2C)cc1
InChIInChI=1S/C28H26/c1-19-11-15-23(16-12-19)25-7-5-9-27(21(25)3)28-10-6-8-26(22(28)4)24-17-13-20(2)14-18-24/h5-18H,1-4H3
InChIKeyAGLSLOJMPDUULA-UHFFFAOYSA-N
XLogP7.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-methyl-3-(4-methylphenyl)phenyl]-3-(4-methylphenyl)benzene?
The IUPAC name of 2-methyl-1-[2-methyl-3-(4-methylphenyl)phenyl]-3-(4-methylphenyl)benzene (CID 157107498) is 2-methyl-1-[2-methyl-3-(4-methylphenyl)phenyl]-3-(4-methylphenyl)benzene.
What is the SMILES notation for 2-methyl-1-[2-methyl-3-(4-methylphenyl)phenyl]-3-(4-methylphenyl)benzene?
The canonical SMILES for 2-methyl-1-[2-methyl-3-(4-methylphenyl)phenyl]-3-(4-methylphenyl)benzene is Cc1ccc(-c2cccc(-c3cccc(-c4ccc(C)cc4)c3C)c2C)cc1.
What is the InChIKey of 2-methyl-1-[2-methyl-3-(4-methylphenyl)phenyl]-3-(4-methylphenyl)benzene?
The InChIKey is AGLSLOJMPDUULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26/c1-19-11-15-23(16-12-19)25-7-5-9-27(21(25)3)28-10-6-8-26(22(28)4)24-17-13-20(2)14-18-24/h5-18H,1-4H3.
What are the key properties of 2-methyl-1-[2-methyl-3-(4-methylphenyl)phenyl]-3-(4-methylphenyl)benzene?
2-methyl-1-[2-methyl-3-(4-methylphenyl)phenyl]-3-(4-methylphenyl)benzene has a molecular weight of 362.52 g/mol, XLogP of 7.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-methyl-3-(4-methylphenyl)phenyl]-3-(4-methylphenyl)benzene is sourced from PubChem (CID 157107498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).