1-benzyl-4-[[3-(3-methylphenyl)cyclopenta-1,3-dien-1-yl]methyl]benzene

C26H24 — CID 59994233

IUPAC1-benzyl-4-[[3-(3-methylphenyl)cyclopenta-1,3-dien-1-yl]methyl]benzene
SMILESCc1cccc(C2=CCC(Cc3ccc(Cc4ccccc4)cc3)=C2)c1
InChIInChI=1S/C26H24/c1-20-6-5-9-25(16-20)26-15-14-24(19-26)18-23-12-10-22(11-13-23)17-21-7-3-2-4-8-21/h2-13,15-16,19H,14,17-18H2,1H3
InChIKeyQGYCPQYAZKJQTI-UHFFFAOYSA-N
MW336.48 g/mol
LogP6.54
Rot. Bonds5

About 1-benzyl-4-[[3-(3-methylphenyl)cyclopenta-1,3-dien-1-yl]methyl]benzene

1-benzyl-4-[[3-(3-methylphenyl)cyclopenta-1,3-dien-1-yl]methyl]benzene (PubChem CID 59994233) has the molecular formula C26H24 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-benzyl-4-[[3-(3-methylphenyl)cyclopenta-1,3-dien-1-yl]methyl]benzene.

Molecular Properties

Compound Name1-benzyl-4-[[3-(3-methylphenyl)cyclopenta-1,3-dien-1-yl]methyl]benzene
PubChem CID59994233
Molecular FormulaC26H24
Molecular Weight336.48 g/mol
Exact Mass336.19
IUPAC Name1-benzyl-4-[[3-(3-methylphenyl)cyclopenta-1,3-dien-1-yl]methyl]benzene
SMILESCc1cccc(C2=CCC(Cc3ccc(Cc4ccccc4)cc3)=C2)c1
InChIInChI=1S/C26H24/c1-20-6-5-9-25(16-20)26-15-14-24(19-26)18-23-12-10-22(11-13-23)17-21-7-3-2-4-8-21/h2-13,15-16,19H,14,17-18H2,1H3
InChIKeyQGYCPQYAZKJQTI-UHFFFAOYSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[[3-(3-methylphenyl)cyclopenta-1,3-dien-1-yl]methyl]benzene?
The IUPAC name of 1-benzyl-4-[[3-(3-methylphenyl)cyclopenta-1,3-dien-1-yl]methyl]benzene (CID 59994233) is 1-benzyl-4-[[3-(3-methylphenyl)cyclopenta-1,3-dien-1-yl]methyl]benzene.
What is the SMILES notation for 1-benzyl-4-[[3-(3-methylphenyl)cyclopenta-1,3-dien-1-yl]methyl]benzene?
The canonical SMILES for 1-benzyl-4-[[3-(3-methylphenyl)cyclopenta-1,3-dien-1-yl]methyl]benzene is Cc1cccc(C2=CCC(Cc3ccc(Cc4ccccc4)cc3)=C2)c1.
What is the InChIKey of 1-benzyl-4-[[3-(3-methylphenyl)cyclopenta-1,3-dien-1-yl]methyl]benzene?
The InChIKey is QGYCPQYAZKJQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24/c1-20-6-5-9-25(16-20)26-15-14-24(19-26)18-23-12-10-22(11-13-23)17-21-7-3-2-4-8-21/h2-13,15-16,19H,14,17-18H2,1H3.
What are the key properties of 1-benzyl-4-[[3-(3-methylphenyl)cyclopenta-1,3-dien-1-yl]methyl]benzene?
1-benzyl-4-[[3-(3-methylphenyl)cyclopenta-1,3-dien-1-yl]methyl]benzene has a molecular weight of 336.48 g/mol, XLogP of 6.54, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[[3-(3-methylphenyl)cyclopenta-1,3-dien-1-yl]methyl]benzene is sourced from PubChem (CID 59994233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).