1,2-dibutyl-3,5-diphenylbenzene

C26H30 — CID 174699980

IUPAC1,2-dibutyl-3,5-diphenylbenzene
SMILESCCCCc1cc(-c2ccccc2)cc(-c2ccccc2)c1CCCC
InChIInChI=1S/C26H30/c1-3-5-13-23-19-24(21-14-9-7-10-15-21)20-26(25(23)18-6-4-2)22-16-11-8-12-17-22/h7-12,14-17,19-20H,3-6,13,18H2,1-2H3
InChIKeyUFAUBWKEEQQXJJ-UHFFFAOYSA-N
MW342.53 g/mol
LogP7.71
Rot. Bonds8

About 1,2-dibutyl-3,5-diphenylbenzene

1,2-dibutyl-3,5-diphenylbenzene (PubChem CID 174699980) has the molecular formula C26H30 and a molecular weight of 342.53 g/mol. Its IUPAC name is 1,2-dibutyl-3,5-diphenylbenzene.

Molecular Properties

Compound Name1,2-dibutyl-3,5-diphenylbenzene
PubChem CID174699980
Molecular FormulaC26H30
Molecular Weight342.53 g/mol
Exact Mass342.23
IUPAC Name1,2-dibutyl-3,5-diphenylbenzene
SMILESCCCCc1cc(-c2ccccc2)cc(-c2ccccc2)c1CCCC
InChIInChI=1S/C26H30/c1-3-5-13-23-19-24(21-14-9-7-10-15-21)20-26(25(23)18-6-4-2)22-16-11-8-12-17-22/h7-12,14-17,19-20H,3-6,13,18H2,1-2H3
InChIKeyUFAUBWKEEQQXJJ-UHFFFAOYSA-N
XLogP7.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2-dibutyl-3,5-diphenylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-dibutyl-3,5-diphenylbenzene?
The IUPAC name of 1,2-dibutyl-3,5-diphenylbenzene (CID 174699980) is 1,2-dibutyl-3,5-diphenylbenzene.
What is the SMILES notation for 1,2-dibutyl-3,5-diphenylbenzene?
The canonical SMILES for 1,2-dibutyl-3,5-diphenylbenzene is CCCCc1cc(-c2ccccc2)cc(-c2ccccc2)c1CCCC.
What is the InChIKey of 1,2-dibutyl-3,5-diphenylbenzene?
The InChIKey is UFAUBWKEEQQXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30/c1-3-5-13-23-19-24(21-14-9-7-10-15-21)20-26(25(23)18-6-4-2)22-16-11-8-12-17-22/h7-12,14-17,19-20H,3-6,13,18H2,1-2H3.
What are the key properties of 1,2-dibutyl-3,5-diphenylbenzene?
1,2-dibutyl-3,5-diphenylbenzene has a molecular weight of 342.53 g/mol, XLogP of 7.71, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibutyl-3,5-diphenylbenzene is sourced from PubChem (CID 174699980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).