1,4-dimethyl-2-(4-methylcyclohexyl)-5-[4-[4-(4-methylphenyl)butyl]phenyl]benzene

C32H40 — CID 59931371

IUPAC1,4-dimethyl-2-(4-methylcyclohexyl)-5-[4-[4-(4-methylphenyl)butyl]phenyl]benzene
SMILESCc1ccc(CCCCc2ccc(-c3cc(C)c(C4CCC(C)CC4)cc3C)cc2)cc1
InChIInChI=1S/C32H40/c1-23-9-13-27(14-10-23)7-5-6-8-28-15-19-30(20-16-28)32-22-25(3)31(21-26(32)4)29-17-11-24(2)12-18-29/h9-10,13-16,19-22,24,29H,5-8,11-12,17-18H2,1-4H3
InChIKeySTLFGCCIUNJWNU-UHFFFAOYSA-N
MW424.67 g/mol
LogP9.14
Rot. Bonds7

About 1,4-dimethyl-2-(4-methylcyclohexyl)-5-[4-[4-(4-methylphenyl)butyl]phenyl]benzene

1,4-dimethyl-2-(4-methylcyclohexyl)-5-[4-[4-(4-methylphenyl)butyl]phenyl]benzene (PubChem CID 59931371) has the molecular formula C32H40 and a molecular weight of 424.67 g/mol. Its IUPAC name is 1,4-dimethyl-2-(4-methylcyclohexyl)-5-[4-[4-(4-methylphenyl)butyl]phenyl]benzene.

Molecular Properties

Compound Name1,4-dimethyl-2-(4-methylcyclohexyl)-5-[4-[4-(4-methylphenyl)butyl]phenyl]benzene
PubChem CID59931371
Molecular FormulaC32H40
Molecular Weight424.67 g/mol
Exact Mass424.31
IUPAC Name1,4-dimethyl-2-(4-methylcyclohexyl)-5-[4-[4-(4-methylphenyl)butyl]phenyl]benzene
SMILESCc1ccc(CCCCc2ccc(-c3cc(C)c(C4CCC(C)CC4)cc3C)cc2)cc1
InChIInChI=1S/C32H40/c1-23-9-13-27(14-10-23)7-5-6-8-28-15-19-30(20-16-28)32-22-25(3)31(21-26(32)4)29-17-11-24(2)12-18-29/h9-10,13-16,19-22,24,29H,5-8,11-12,17-18H2,1-4H3
InChIKeySTLFGCCIUNJWNU-UHFFFAOYSA-N
XLogP9.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.67
LogP ≤ 59.14
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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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-(4-methylcyclohexyl)-5-[4-[4-(4-methylphenyl)butyl]phenyl]benzene?
The IUPAC name of 1,4-dimethyl-2-(4-methylcyclohexyl)-5-[4-[4-(4-methylphenyl)butyl]phenyl]benzene (CID 59931371) is 1,4-dimethyl-2-(4-methylcyclohexyl)-5-[4-[4-(4-methylphenyl)butyl]phenyl]benzene.
What is the SMILES notation for 1,4-dimethyl-2-(4-methylcyclohexyl)-5-[4-[4-(4-methylphenyl)butyl]phenyl]benzene?
The canonical SMILES for 1,4-dimethyl-2-(4-methylcyclohexyl)-5-[4-[4-(4-methylphenyl)butyl]phenyl]benzene is Cc1ccc(CCCCc2ccc(-c3cc(C)c(C4CCC(C)CC4)cc3C)cc2)cc1.
What is the InChIKey of 1,4-dimethyl-2-(4-methylcyclohexyl)-5-[4-[4-(4-methylphenyl)butyl]phenyl]benzene?
The InChIKey is STLFGCCIUNJWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40/c1-23-9-13-27(14-10-23)7-5-6-8-28-15-19-30(20-16-28)32-22-25(3)31(21-26(32)4)29-17-11-24(2)12-18-29/h9-10,13-16,19-22,24,29H,5-8,11-12,17-18H2,1-4H3.
What are the key properties of 1,4-dimethyl-2-(4-methylcyclohexyl)-5-[4-[4-(4-methylphenyl)butyl]phenyl]benzene?
1,4-dimethyl-2-(4-methylcyclohexyl)-5-[4-[4-(4-methylphenyl)butyl]phenyl]benzene has a molecular weight of 424.67 g/mol, XLogP of 9.14, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-(4-methylcyclohexyl)-5-[4-[4-(4-methylphenyl)butyl]phenyl]benzene is sourced from PubChem (CID 59931371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).