1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene

C34H52 — CID 20538951

IUPAC1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
SMILESCCCCCCCCCC1CCC(c2ccc(-c3ccc(CCCCCCC)cc3)cc2)CC1
InChIInChI=1S/C34H52/c1-3-5-7-9-10-12-14-16-30-19-23-32(24-20-30)34-27-25-33(26-28-34)31-21-17-29(18-22-31)15-13-11-8-6-4-2/h17-18,21-22,25-28,30,32H,3-16,19-20,23-24H2,1-2H3
InChIKeyHCDOHIFNPDLGHL-UHFFFAOYSA-N
MW460.79 g/mol
LogP11.28
Rot. Bonds16

About 1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene

1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene (PubChem CID 20538951) has the molecular formula C34H52 and a molecular weight of 460.79 g/mol. Its IUPAC name is 1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
PubChem CID20538951
Molecular FormulaC34H52
Molecular Weight460.79 g/mol
Exact Mass460.41
IUPAC Name1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
SMILESCCCCCCCCCC1CCC(c2ccc(-c3ccc(CCCCCCC)cc3)cc2)CC1
InChIInChI=1S/C34H52/c1-3-5-7-9-10-12-14-16-30-19-23-32(24-20-30)34-27-25-33(26-28-34)31-21-17-29(18-22-31)15-13-11-8-6-4-2/h17-18,21-22,25-28,30,32H,3-16,19-20,23-24H2,1-2H3
InChIKeyHCDOHIFNPDLGHL-UHFFFAOYSA-N
XLogP11.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.79
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]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

1-nonyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 22008062
1-dodecyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539025
1-hexyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20539243
1-hexyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539240
1-hexyl-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20539325
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766
1-heptyl-4-(4-methylphenyl)benzene;1-(4-hexylcyclohexyl)-4-methylbenzene;methane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-pentylphenyl)phenyl]benzene
CID 161465847
1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20539374
1-nonyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 20539381
1-(4-heptylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20538985
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene?
The IUPAC name of 1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene (CID 20538951) is 1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene?
The canonical SMILES for 1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene is CCCCCCCCCC1CCC(c2ccc(-c3ccc(CCCCCCC)cc3)cc2)CC1.
What is the InChIKey of 1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene?
The InChIKey is HCDOHIFNPDLGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H52/c1-3-5-7-9-10-12-14-16-30-19-23-32(24-20-30)34-27-25-33(26-28-34)31-21-17-29(18-22-31)15-13-11-8-6-4-2/h17-18,21-22,25-28,30,32H,3-16,19-20,23-24H2,1-2H3.
What are the key properties of 1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene?
1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene has a molecular weight of 460.79 g/mol, XLogP of 11.28, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 20538951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).