1-(2,4-dimethylphenyl)-3,5-diphenylbenzene

C26H22 — CID 20766179

IUPAC1-(2,4-dimethylphenyl)-3,5-diphenylbenzene
SMILESCc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c(C)c1
InChIInChI=1S/C26H22/c1-19-13-14-26(20(2)15-19)25-17-23(21-9-5-3-6-10-21)16-24(18-25)22-11-7-4-8-12-22/h3-18H,1-2H3
InChIKeyVMJMFONHYDLRBJ-UHFFFAOYSA-N
MW334.46 g/mol
LogP7.30
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-3,5-diphenylbenzene

1-(2,4-dimethylphenyl)-3,5-diphenylbenzene (PubChem CID 20766179) has the molecular formula C26H22 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3,5-diphenylbenzene.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3,5-diphenylbenzene
PubChem CID20766179
Molecular FormulaC26H22
Molecular Weight334.46 g/mol
Exact Mass334.17
IUPAC Name1-(2,4-dimethylphenyl)-3,5-diphenylbenzene
SMILESCc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c(C)c1
InChIInChI=1S/C26H22/c1-19-13-14-26(20(2)15-19)25-17-23(21-9-5-3-6-10-21)16-24(18-25)22-11-7-4-8-12-22/h3-18H,1-2H3
InChIKeyVMJMFONHYDLRBJ-UHFFFAOYSA-N
XLogP7.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3,5-diphenylbenzene?
The IUPAC name of 1-(2,4-dimethylphenyl)-3,5-diphenylbenzene (CID 20766179) is 1-(2,4-dimethylphenyl)-3,5-diphenylbenzene.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3,5-diphenylbenzene?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3,5-diphenylbenzene is Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3,5-diphenylbenzene?
The InChIKey is VMJMFONHYDLRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22/c1-19-13-14-26(20(2)15-19)25-17-23(21-9-5-3-6-10-21)16-24(18-25)22-11-7-4-8-12-22/h3-18H,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-3,5-diphenylbenzene?
1-(2,4-dimethylphenyl)-3,5-diphenylbenzene has a molecular weight of 334.46 g/mol, XLogP of 7.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3,5-diphenylbenzene is sourced from PubChem (CID 20766179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).