1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene

C38H58 — CID 20538283

IUPAC1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
SMILESCCCCCCCC1CCC(c2ccc(-c3ccc(C4CCC(CCCCCCC)CC4)cc3)cc2)CC1
InChIInChI=1S/C38H58/c1-3-5-7-9-11-13-31-15-19-33(20-16-31)35-23-27-37(28-24-35)38-29-25-36(26-30-38)34-21-17-32(18-22-34)14-12-10-8-6-4-2/h23-34H,3-22H2,1-2H3
InChIKeyWBFRCVMIOWVDHE-UHFFFAOYSA-N
MW514.88 g/mol
LogP12.62
Rot. Bonds15

About 1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene

1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene (PubChem CID 20538283) has the molecular formula C38H58 and a molecular weight of 514.88 g/mol. Its IUPAC name is 1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
PubChem CID20538283
Molecular FormulaC38H58
Molecular Weight514.88 g/mol
Exact Mass514.45
IUPAC Name1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
SMILESCCCCCCCC1CCC(c2ccc(-c3ccc(C4CCC(CCCCCCC)CC4)cc3)cc2)CC1
InChIInChI=1S/C38H58/c1-3-5-7-9-11-13-31-15-19-33(20-16-31)35-23-27-37(28-24-35)38-29-25-36(26-30-38)34-21-17-32(18-22-34)14-12-10-8-6-4-2/h23-34H,3-22H2,1-2H3
InChIKeyWBFRCVMIOWVDHE-UHFFFAOYSA-N
XLogP12.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.88
LogP ≤ 512.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene
CID 20539068
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-hexyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539240
1-hexyl-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20539325
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-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20538951
1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20539374
1-(4-heptylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20538985

Frequently Asked Questions

What is the IUPAC name of 1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene?
The IUPAC name of 1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene (CID 20538283) is 1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene?
The canonical SMILES for 1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene is CCCCCCCC1CCC(c2ccc(-c3ccc(C4CCC(CCCCCCC)CC4)cc3)cc2)CC1.
What is the InChIKey of 1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene?
The InChIKey is WBFRCVMIOWVDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H58/c1-3-5-7-9-11-13-31-15-19-33(20-16-31)35-23-27-37(28-24-35)38-29-25-36(26-30-38)34-21-17-32(18-22-34)14-12-10-8-6-4-2/h23-34H,3-22H2,1-2H3.
What are the key properties of 1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene?
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene has a molecular weight of 514.88 g/mol, XLogP of 12.62, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 20538283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).