2-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)ethylbenzene

C26H24 — CID 140800431

IUPAC2-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)ethylbenzene
SMILESC1=C(CCc2ccccc2)C(Cc2ccccc2)C(c2ccccc2)=C1
InChIInChI=1S/C26H24/c1-4-10-21(11-5-1)16-17-24-18-19-25(23-14-8-3-9-15-23)26(24)20-22-12-6-2-7-13-22/h1-15,18-19,26H,16-17,20H2
InChIKeyVMAHURMXPQHUAK-UHFFFAOYSA-N
MW336.48 g/mol
LogP6.50
Rot. Bonds6

About 2-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)ethylbenzene

2-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)ethylbenzene (PubChem CID 140800431) has the molecular formula C26H24 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)ethylbenzene.

Molecular Properties

Compound Name2-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)ethylbenzene
PubChem CID140800431
Molecular FormulaC26H24
Molecular Weight336.48 g/mol
Exact Mass336.19
IUPAC Name2-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)ethylbenzene
SMILESC1=C(CCc2ccccc2)C(Cc2ccccc2)C(c2ccccc2)=C1
InChIInChI=1S/C26H24/c1-4-10-21(11-5-1)16-17-24-18-19-25(23-14-8-3-9-15-23)26(24)20-22-12-6-2-7-13-22/h1-15,18-19,26H,16-17,20H2
InChIKeyVMAHURMXPQHUAK-UHFFFAOYSA-N
XLogP6.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[4-(2-phenylethyl)-5-prop-2-enylcyclopenta-1,3-dien-1-yl]benzene
CID 140800443
4-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)-1-(2,6-dimethylphenyl)butan-2-one
CID 130257682
benzene;2-phenylethylbenzene
CID 18982764
4-(5-methyl-4-phenylcyclopenta-1,3-dien-1-yl)-1-phenylbutan-2-one
CID 130257789
hafnium;2-phenylethylbenzene
CID 173109801
1-(2,3-dihydro-1H-inden-1-yl)-3-[5-ethyl-4-(2-phenylethyl)cyclopenta-1,3-dien-1-yl]propan-1-one
CID 130257594
1-(2,6-dimethylphenyl)-4-(5-ethyl-4-phenylcyclopenta-1,3-dien-1-yl)butan-2-one
CID 130257521
(6R)-2,5-diphenylbicyclo[4.1.0]hepta-2,4-diene
CID 145063916
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278
4-[5-(2-cyclohexylethyl)-4-phenylcyclopenta-1,3-dien-1-yl]-1-(4-methylphenyl)butan-2-one
CID 130257561
ethane;methane;2-phenylethylbenzene
CID 158652330
(2R,5R)-2-benzyl-5-(2-phenylethyl)pyrrolidine;hydrochloride
CID 70526250

Frequently Asked Questions

What is the IUPAC name of 2-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)ethylbenzene?
The IUPAC name of 2-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)ethylbenzene (CID 140800431) is 2-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)ethylbenzene.
What is the SMILES notation for 2-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)ethylbenzene?
The canonical SMILES for 2-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)ethylbenzene is C1=C(CCc2ccccc2)C(Cc2ccccc2)C(c2ccccc2)=C1.
What is the InChIKey of 2-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)ethylbenzene?
The InChIKey is VMAHURMXPQHUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24/c1-4-10-21(11-5-1)16-17-24-18-19-25(23-14-8-3-9-15-23)26(24)20-22-12-6-2-7-13-22/h1-15,18-19,26H,16-17,20H2.
What are the key properties of 2-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)ethylbenzene?
2-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)ethylbenzene has a molecular weight of 336.48 g/mol, XLogP of 6.50, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)ethylbenzene is sourced from PubChem (CID 140800431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).