4-[3-cyclohexyl-5-(4-methylidenecycloheptyl)phenyl]-1H-indene

C29H34 — CID 123144450

IUPAC4-[3-cyclohexyl-5-(4-methylidenecycloheptyl)phenyl]-1H-indene
SMILESC=C1CCCC(c2cc(-c3cccc4c3C=CC4)cc(C3CCCCC3)c2)CC1
InChIInChI=1S/C29H34/c1-21-8-5-11-23(17-16-21)26-18-25(22-9-3-2-4-10-22)19-27(20-26)29-15-7-13-24-12-6-14-28(24)29/h6-7,13-15,18-20,22-23H,1-5,8-12,16-17H2
InChIKeyZHVBYSSQIAUQEM-UHFFFAOYSA-N
MW382.59 g/mol
LogP8.57
Rot. Bonds3

About 4-[3-cyclohexyl-5-(4-methylidenecycloheptyl)phenyl]-1H-indene

4-[3-cyclohexyl-5-(4-methylidenecycloheptyl)phenyl]-1H-indene (PubChem CID 123144450) has the molecular formula C29H34 and a molecular weight of 382.59 g/mol. Its IUPAC name is 4-[3-cyclohexyl-5-(4-methylidenecycloheptyl)phenyl]-1H-indene.

Molecular Properties

Compound Name4-[3-cyclohexyl-5-(4-methylidenecycloheptyl)phenyl]-1H-indene
PubChem CID123144450
Molecular FormulaC29H34
Molecular Weight382.59 g/mol
Exact Mass382.27
IUPAC Name4-[3-cyclohexyl-5-(4-methylidenecycloheptyl)phenyl]-1H-indene
SMILESC=C1CCCC(c2cc(-c3cccc4c3C=CC4)cc(C3CCCCC3)c2)CC1
InChIInChI=1S/C29H34/c1-21-8-5-11-23(17-16-21)26-18-25(22-9-3-2-4-10-22)19-27(20-26)29-15-7-13-24-12-6-14-28(24)29/h6-7,13-15,18-20,22-23H,1-5,8-12,16-17H2
InChIKeyZHVBYSSQIAUQEM-UHFFFAOYSA-N
XLogP8.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-cyclohexyl-5-(4-methylidenecycloheptyl)phenyl]-1H-indene?
The IUPAC name of 4-[3-cyclohexyl-5-(4-methylidenecycloheptyl)phenyl]-1H-indene (CID 123144450) is 4-[3-cyclohexyl-5-(4-methylidenecycloheptyl)phenyl]-1H-indene.
What is the SMILES notation for 4-[3-cyclohexyl-5-(4-methylidenecycloheptyl)phenyl]-1H-indene?
The canonical SMILES for 4-[3-cyclohexyl-5-(4-methylidenecycloheptyl)phenyl]-1H-indene is C=C1CCCC(c2cc(-c3cccc4c3C=CC4)cc(C3CCCCC3)c2)CC1.
What is the InChIKey of 4-[3-cyclohexyl-5-(4-methylidenecycloheptyl)phenyl]-1H-indene?
The InChIKey is ZHVBYSSQIAUQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34/c1-21-8-5-11-23(17-16-21)26-18-25(22-9-3-2-4-10-22)19-27(20-26)29-15-7-13-24-12-6-14-28(24)29/h6-7,13-15,18-20,22-23H,1-5,8-12,16-17H2.
What are the key properties of 4-[3-cyclohexyl-5-(4-methylidenecycloheptyl)phenyl]-1H-indene?
4-[3-cyclohexyl-5-(4-methylidenecycloheptyl)phenyl]-1H-indene has a molecular weight of 382.59 g/mol, XLogP of 8.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-cyclohexyl-5-(4-methylidenecycloheptyl)phenyl]-1H-indene is sourced from PubChem (CID 123144450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).