1,2,3,4,5-pentacyclohexyl-6-ethenylbenzene

C38H58 — CID 140540500

IUPAC1,2,3,4,5-pentacyclohexyl-6-ethenylbenzene
SMILESC=Cc1c(C2CCCCC2)c(C2CCCCC2)c(C2CCCCC2)c(C2CCCCC2)c1C1CCCCC1
InChIInChI=1S/C38H58/c1-2-33-34(28-18-8-3-9-19-28)36(30-22-12-5-13-23-30)38(32-26-16-7-17-27-32)37(31-24-14-6-15-25-31)35(33)29-20-10-4-11-21-29/h2,28-32H,1,3-27H2
InChIKeyJQHSTXVGCQSAHX-UHFFFAOYSA-N
MW514.88 g/mol
LogP12.57
Rot. Bonds6

About 1,2,3,4,5-pentacyclohexyl-6-ethenylbenzene

1,2,3,4,5-pentacyclohexyl-6-ethenylbenzene (PubChem CID 140540500) has the molecular formula C38H58 and a molecular weight of 514.88 g/mol. Its IUPAC name is 1,2,3,4,5-pentacyclohexyl-6-ethenylbenzene.

Molecular Properties

Compound Name1,2,3,4,5-pentacyclohexyl-6-ethenylbenzene
PubChem CID140540500
Molecular FormulaC38H58
Molecular Weight514.88 g/mol
Exact Mass514.45
IUPAC Name1,2,3,4,5-pentacyclohexyl-6-ethenylbenzene
SMILESC=Cc1c(C2CCCCC2)c(C2CCCCC2)c(C2CCCCC2)c(C2CCCCC2)c1C1CCCCC1
InChIInChI=1S/C38H58/c1-2-33-34(28-18-8-3-9-19-28)36(30-22-12-5-13-23-30)38(32-26-16-7-17-27-32)37(31-24-14-6-15-25-31)35(33)29-20-10-4-11-21-29/h2,28-32H,1,3-27H2
InChIKeyJQHSTXVGCQSAHX-UHFFFAOYSA-N
XLogP12.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.88
LogP ≤ 512.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,3,4,5-pentacyclohexyl-6-ethenylbenzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentacyclohexyl-6-ethenylbenzene?
The IUPAC name of 1,2,3,4,5-pentacyclohexyl-6-ethenylbenzene (CID 140540500) is 1,2,3,4,5-pentacyclohexyl-6-ethenylbenzene.
What is the SMILES notation for 1,2,3,4,5-pentacyclohexyl-6-ethenylbenzene?
The canonical SMILES for 1,2,3,4,5-pentacyclohexyl-6-ethenylbenzene is C=Cc1c(C2CCCCC2)c(C2CCCCC2)c(C2CCCCC2)c(C2CCCCC2)c1C1CCCCC1.
What is the InChIKey of 1,2,3,4,5-pentacyclohexyl-6-ethenylbenzene?
The InChIKey is JQHSTXVGCQSAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H58/c1-2-33-34(28-18-8-3-9-19-28)36(30-22-12-5-13-23-30)38(32-26-16-7-17-27-32)37(31-24-14-6-15-25-31)35(33)29-20-10-4-11-21-29/h2,28-32H,1,3-27H2.
What are the key properties of 1,2,3,4,5-pentacyclohexyl-6-ethenylbenzene?
1,2,3,4,5-pentacyclohexyl-6-ethenylbenzene has a molecular weight of 514.88 g/mol, XLogP of 12.57, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentacyclohexyl-6-ethenylbenzene is sourced from PubChem (CID 140540500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).