(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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Related Compounds

2-amino-1,4-diphenylbutan-2-ol
CID 67531215
2-methyl-1,4-diphenylbutan-2-ol
CID 103642101
(3,3-dichloro-5-phenylpentyl)benzene
CID 11033683
3,3-dibenzyl-1,5-diphenylpentane-2,2-diamine
CID 140983955
benzene;2-phenylethylbenzene
CID 18982764
2-benzyl-3-methoxy-2-phenylpropan-1-amine
CID 139652108
1,1,2-triphenylethanamine;hydrobromide
CID 175347021
8-amino-3-phenyl-3-(2-phenylethyl)octanamide
CID 57082244
1-fluoro-4-[2-[(4-fluorophenyl)methyl]-2-methyl-4-phenylbutyl]benzene
CID 46185525
1,4-bis(2,2,2-triphenylethyl)benzene
CID 3555789
2,2-diethyl-4-phenylbutanenitrile
CID 82138721
1-(2-phenylethyl)-4-(3,3,3-trifluoropropyl)benzene
CID 12783381

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).