4-(2-methylphenyl)-1,2-diphenylbenzene

C25H20 — CID 59171693

IUPAC4-(2-methylphenyl)-1,2-diphenylbenzene
SMILESCc1ccccc1-c1ccc(-c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C25H20/c1-19-10-8-9-15-23(19)22-16-17-24(20-11-4-2-5-12-20)25(18-22)21-13-6-3-7-14-21/h2-18H,1H3
InChIKeyOPRSQSHDOHVFDA-UHFFFAOYSA-N
MW320.44 g/mol
LogP7.00
Rot. Bonds3

About 4-(2-methylphenyl)-1,2-diphenylbenzene

4-(2-methylphenyl)-1,2-diphenylbenzene (PubChem CID 59171693) has the molecular formula C25H20 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-(2-methylphenyl)-1,2-diphenylbenzene.

Molecular Properties

Compound Name4-(2-methylphenyl)-1,2-diphenylbenzene
PubChem CID59171693
Molecular FormulaC25H20
Molecular Weight320.44 g/mol
Exact Mass320.16
IUPAC Name4-(2-methylphenyl)-1,2-diphenylbenzene
SMILESCc1ccccc1-c1ccc(-c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C25H20/c1-19-10-8-9-15-23(19)22-16-17-24(20-11-4-2-5-12-20)25(18-22)21-13-6-3-7-14-21/h2-18H,1H3
InChIKeyOPRSQSHDOHVFDA-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-(2-methylphenyl)-1,2-diphenylbenzene?
The IUPAC name of 4-(2-methylphenyl)-1,2-diphenylbenzene (CID 59171693) is 4-(2-methylphenyl)-1,2-diphenylbenzene.
What is the SMILES notation for 4-(2-methylphenyl)-1,2-diphenylbenzene?
The canonical SMILES for 4-(2-methylphenyl)-1,2-diphenylbenzene is Cc1ccccc1-c1ccc(-c2ccccc2)c(-c2ccccc2)c1.
What is the InChIKey of 4-(2-methylphenyl)-1,2-diphenylbenzene?
The InChIKey is OPRSQSHDOHVFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20/c1-19-10-8-9-15-23(19)22-16-17-24(20-11-4-2-5-12-20)25(18-22)21-13-6-3-7-14-21/h2-18H,1H3.
What are the key properties of 4-(2-methylphenyl)-1,2-diphenylbenzene?
4-(2-methylphenyl)-1,2-diphenylbenzene 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-(2-methylphenyl)-1,2-diphenylbenzene is sourced from PubChem (CID 59171693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).