1-ethyl-4-[[3-[[2-[[3-[(4-ethylphenyl)methyl]cyclopenta-1,4-dien-1-yl]methyl]phenyl]methyl]cyclopenta-1,4-dien-1-yl]methyl]benzene

C36H38 — CID 123251821

IUPAC1-ethyl-4-[[3-[[2-[[3-[(4-ethylphenyl)methyl]cyclopenta-1,4-dien-1-yl]methyl]phenyl]methyl]cyclopenta-1,4-dien-1-yl]methyl]benzene
SMILESCCc1ccc(CC2=CC(Cc3ccccc3CC3=CC(Cc4ccc(CC)cc4)C=C3)C=C2)cc1
InChIInChI=1S/C36H38/c1-3-27-9-13-29(14-10-27)21-31-17-19-33(23-31)25-35-7-5-6-8-36(35)26-34-20-18-32(24-34)22-30-15-11-28(4-2)12-16-30/h5-20,23-24,31,34H,3-4,21-22,25-26H2,1-2H3
InChIKeyLNCVBNSOTZUSER-UHFFFAOYSA-N
MW470.70 g/mol
LogP8.61
Rot. Bonds10

About 1-ethyl-4-[[3-[[2-[[3-[(4-ethylphenyl)methyl]cyclopenta-1,4-dien-1-yl]methyl]phenyl]methyl]cyclopenta-1,4-dien-1-yl]methyl]benzene

1-ethyl-4-[[3-[[2-[[3-[(4-ethylphenyl)methyl]cyclopenta-1,4-dien-1-yl]methyl]phenyl]methyl]cyclopenta-1,4-dien-1-yl]methyl]benzene (PubChem CID 123251821) has the molecular formula C36H38 and a molecular weight of 470.70 g/mol. Its IUPAC name is 1-ethyl-4-[[3-[[2-[[3-[(4-ethylphenyl)methyl]cyclopenta-1,4-dien-1-yl]methyl]phenyl]methyl]cyclopenta-1,4-dien-1-yl]methyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[[3-[[2-[[3-[(4-ethylphenyl)methyl]cyclopenta-1,4-dien-1-yl]methyl]phenyl]methyl]cyclopenta-1,4-dien-1-yl]methyl]benzene
PubChem CID123251821
Molecular FormulaC36H38
Molecular Weight470.70 g/mol
Exact Mass470.30
IUPAC Name1-ethyl-4-[[3-[[2-[[3-[(4-ethylphenyl)methyl]cyclopenta-1,4-dien-1-yl]methyl]phenyl]methyl]cyclopenta-1,4-dien-1-yl]methyl]benzene
SMILESCCc1ccc(CC2=CC(Cc3ccccc3CC3=CC(Cc4ccc(CC)cc4)C=C3)C=C2)cc1
InChIInChI=1S/C36H38/c1-3-27-9-13-29(14-10-27)21-31-17-19-33(23-31)25-35-7-5-6-8-36(35)26-34-20-18-32(24-34)22-30-15-11-28(4-2)12-16-30/h5-20,23-24,31,34H,3-4,21-22,25-26H2,1-2H3
InChIKeyLNCVBNSOTZUSER-UHFFFAOYSA-N
XLogP8.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.70
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-ethyl-4-[[3-[[2-[[3-[(4-ethylphenyl)methyl]cyclopenta-1,4-dien-1-yl]methyl]phenyl]methyl]cyclopenta-1,4-dien-1-yl]methyl]benzene with MolForge

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

Launch Full Analysis

Related Compounds

2-[(4-ethylphenyl)methyl]aniline
CID 11572028
1-benzyl-4-ethylbenzene;methane
CID 144571765
1-[(2-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]benzene
CID 22919163
2-[3-(4-ethylphenyl)propyl]benzoic acid
CID 54190644
4-[(4-ethylphenyl)methyl]aniline
CID 39242922
[4-[(4-ethylphenyl)methyl]phenyl]methanol
CID 141147432
1,2-diethylbenzene;ethylbenzene;molybdenum
CID 174058694
ethylcyclodecapentaene
CID 90861705
1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene
CID 102370536
1-benzyl-2,4-diethylbenzene
CID 139691839
1,4-diethylbenzene;ethane
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[3-[[2-[[3-[(4-ethylphenyl)methyl]cyclopenta-1,4-dien-1-yl]methyl]phenyl]methyl]cyclopenta-1,4-dien-1-yl]methyl]benzene?
The IUPAC name of 1-ethyl-4-[[3-[[2-[[3-[(4-ethylphenyl)methyl]cyclopenta-1,4-dien-1-yl]methyl]phenyl]methyl]cyclopenta-1,4-dien-1-yl]methyl]benzene (CID 123251821) is 1-ethyl-4-[[3-[[2-[[3-[(4-ethylphenyl)methyl]cyclopenta-1,4-dien-1-yl]methyl]phenyl]methyl]cyclopenta-1,4-dien-1-yl]methyl]benzene.
What is the SMILES notation for 1-ethyl-4-[[3-[[2-[[3-[(4-ethylphenyl)methyl]cyclopenta-1,4-dien-1-yl]methyl]phenyl]methyl]cyclopenta-1,4-dien-1-yl]methyl]benzene?
The canonical SMILES for 1-ethyl-4-[[3-[[2-[[3-[(4-ethylphenyl)methyl]cyclopenta-1,4-dien-1-yl]methyl]phenyl]methyl]cyclopenta-1,4-dien-1-yl]methyl]benzene is CCc1ccc(CC2=CC(Cc3ccccc3CC3=CC(Cc4ccc(CC)cc4)C=C3)C=C2)cc1.
What is the InChIKey of 1-ethyl-4-[[3-[[2-[[3-[(4-ethylphenyl)methyl]cyclopenta-1,4-dien-1-yl]methyl]phenyl]methyl]cyclopenta-1,4-dien-1-yl]methyl]benzene?
The InChIKey is LNCVBNSOTZUSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38/c1-3-27-9-13-29(14-10-27)21-31-17-19-33(23-31)25-35-7-5-6-8-36(35)26-34-20-18-32(24-34)22-30-15-11-28(4-2)12-16-30/h5-20,23-24,31,34H,3-4,21-22,25-26H2,1-2H3.
What are the key properties of 1-ethyl-4-[[3-[[2-[[3-[(4-ethylphenyl)methyl]cyclopenta-1,4-dien-1-yl]methyl]phenyl]methyl]cyclopenta-1,4-dien-1-yl]methyl]benzene?
1-ethyl-4-[[3-[[2-[[3-[(4-ethylphenyl)methyl]cyclopenta-1,4-dien-1-yl]methyl]phenyl]methyl]cyclopenta-1,4-dien-1-yl]methyl]benzene has a molecular weight of 470.70 g/mol, XLogP of 8.61, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[3-[[2-[[3-[(4-ethylphenyl)methyl]cyclopenta-1,4-dien-1-yl]methyl]phenyl]methyl]cyclopenta-1,4-dien-1-yl]methyl]benzene is sourced from PubChem (CID 123251821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).