4-benzyl-2-(3-methylphenyl)-1-phenylbenzene

C26H22 — CID 19607190

IUPAC4-benzyl-2-(3-methylphenyl)-1-phenylbenzene
SMILESCc1cccc(-c2cc(Cc3ccccc3)ccc2-c2ccccc2)c1
InChIInChI=1S/C26H22/c1-20-9-8-14-24(17-20)26-19-22(18-21-10-4-2-5-11-21)15-16-25(26)23-12-6-3-7-13-23/h2-17,19H,18H2,1H3
InChIKeyHTJKONFXKAYNKI-UHFFFAOYSA-N
MW334.46 g/mol
LogP6.92
Rot. Bonds4

About 4-benzyl-2-(3-methylphenyl)-1-phenylbenzene

4-benzyl-2-(3-methylphenyl)-1-phenylbenzene (PubChem CID 19607190) has the molecular formula C26H22 and a molecular weight of 334.46 g/mol. Its IUPAC name is 4-benzyl-2-(3-methylphenyl)-1-phenylbenzene.

Molecular Properties

Compound Name4-benzyl-2-(3-methylphenyl)-1-phenylbenzene
PubChem CID19607190
Molecular FormulaC26H22
Molecular Weight334.46 g/mol
Exact Mass334.17
IUPAC Name4-benzyl-2-(3-methylphenyl)-1-phenylbenzene
SMILESCc1cccc(-c2cc(Cc3ccccc3)ccc2-c2ccccc2)c1
InChIInChI=1S/C26H22/c1-20-9-8-14-24(17-20)26-19-22(18-21-10-4-2-5-11-21)15-16-25(26)23-12-6-3-7-13-23/h2-17,19H,18H2,1H3
InChIKeyHTJKONFXKAYNKI-UHFFFAOYSA-N
XLogP6.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(3-methylphenyl)-1-phenylbenzene?
The IUPAC name of 4-benzyl-2-(3-methylphenyl)-1-phenylbenzene (CID 19607190) is 4-benzyl-2-(3-methylphenyl)-1-phenylbenzene.
What is the SMILES notation for 4-benzyl-2-(3-methylphenyl)-1-phenylbenzene?
The canonical SMILES for 4-benzyl-2-(3-methylphenyl)-1-phenylbenzene is Cc1cccc(-c2cc(Cc3ccccc3)ccc2-c2ccccc2)c1.
What is the InChIKey of 4-benzyl-2-(3-methylphenyl)-1-phenylbenzene?
The InChIKey is HTJKONFXKAYNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22/c1-20-9-8-14-24(17-20)26-19-22(18-21-10-4-2-5-11-21)15-16-25(26)23-12-6-3-7-13-23/h2-17,19H,18H2,1H3.
What are the key properties of 4-benzyl-2-(3-methylphenyl)-1-phenylbenzene?
4-benzyl-2-(3-methylphenyl)-1-phenylbenzene has a molecular weight of 334.46 g/mol, XLogP of 6.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(3-methylphenyl)-1-phenylbenzene is sourced from PubChem (CID 19607190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).