(2-benzyl-1,4-diphenylbutan-2-yl)benzene

C29H28 — CID 21493579

IUPAC(2-benzyl-1,4-diphenylbutan-2-yl)benzene
SMILESc1ccc(CCC(Cc2ccccc2)(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H28/c1-5-13-25(14-6-1)21-22-29(28-19-11-4-12-20-28,23-26-15-7-2-8-16-26)24-27-17-9-3-10-18-27/h1-20H,21-24H2
InChIKeyFMCGCOQBEAMQSK-UHFFFAOYSA-N
MW376.54 g/mol
LogP7.04
Rot. Bonds8

About (2-benzyl-1,4-diphenylbutan-2-yl)benzene

(2-benzyl-1,4-diphenylbutan-2-yl)benzene (PubChem CID 21493579) has the molecular formula C29H28 and a molecular weight of 376.54 g/mol. Its IUPAC name is (2-benzyl-1,4-diphenylbutan-2-yl)benzene.

Molecular Properties

Compound Name(2-benzyl-1,4-diphenylbutan-2-yl)benzene
PubChem CID21493579
Molecular FormulaC29H28
Molecular Weight376.54 g/mol
Exact Mass376.22
IUPAC Name(2-benzyl-1,4-diphenylbutan-2-yl)benzene
SMILESc1ccc(CCC(Cc2ccccc2)(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H28/c1-5-13-25(14-6-1)21-22-29(28-19-11-4-12-20-28,23-26-15-7-2-8-16-26)24-27-17-9-3-10-18-27/h1-20H,21-24H2
InChIKeyFMCGCOQBEAMQSK-UHFFFAOYSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2-benzyl-1,4-diphenylbutan-2-yl)benzene?
The IUPAC name of (2-benzyl-1,4-diphenylbutan-2-yl)benzene (CID 21493579) is (2-benzyl-1,4-diphenylbutan-2-yl)benzene.
What is the SMILES notation for (2-benzyl-1,4-diphenylbutan-2-yl)benzene?
The canonical SMILES for (2-benzyl-1,4-diphenylbutan-2-yl)benzene is c1ccc(CCC(Cc2ccccc2)(Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2-benzyl-1,4-diphenylbutan-2-yl)benzene?
The InChIKey is FMCGCOQBEAMQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28/c1-5-13-25(14-6-1)21-22-29(28-19-11-4-12-20-28,23-26-15-7-2-8-16-26)24-27-17-9-3-10-18-27/h1-20H,21-24H2.
What are the key properties of (2-benzyl-1,4-diphenylbutan-2-yl)benzene?
(2-benzyl-1,4-diphenylbutan-2-yl)benzene has a molecular weight of 376.54 g/mol, XLogP of 7.04, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-1,4-diphenylbutan-2-yl)benzene is sourced from PubChem (CID 21493579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).