(1Z,3Z,6Z)-9-methylidene-7-[(1Z,3Z)-penta-1,3-dienyl]-8,8-diphenylcyclonona-1,3,6-triene;2-methylpropane

C31H36 — CID 155718078

IUPAC(1Z,3Z,6Z)-9-methylidene-7-[(1Z,3Z)-penta-1,3-dienyl]-8,8-diphenylcyclonona-1,3,6-triene;2-methylpropane
SMILESC=C1/C=C\C=C/C/C=C(/C=C\C=C/C)C1(c1ccccc1)c1ccccc1.CC(C)C
InChIInChI=1S/C27H26.C4H10/c1-3-4-9-17-24-18-11-6-5-10-16-23(2)27(24,25-19-12-7-13-20-25)26-21-14-8-15-22-26;1-4(2)3/h3-10,12-22H,2,11H2,1H3;4H,1-3H3/b4-3-,6-5-,16-10-,17-9-,24-18-;
InChIKeyRHYFRXKAIMRNEM-UZGXJVMTSA-N
MW408.63 g/mol
LogP8.77
Rot. Bonds4

About (1Z,3Z,6Z)-9-methylidene-7-[(1Z,3Z)-penta-1,3-dienyl]-8,8-diphenylcyclonona-1,3,6-triene;2-methylpropane

(1Z,3Z,6Z)-9-methylidene-7-[(1Z,3Z)-penta-1,3-dienyl]-8,8-diphenylcyclonona-1,3,6-triene;2-methylpropane (PubChem CID 155718078) has the molecular formula C31H36 and a molecular weight of 408.63 g/mol. Its IUPAC name is (1Z,3Z,6Z)-9-methylidene-7-[(1Z,3Z)-penta-1,3-dienyl]-8,8-diphenylcyclonona-1,3,6-triene;2-methylpropane.

Molecular Properties

Compound Name(1Z,3Z,6Z)-9-methylidene-7-[(1Z,3Z)-penta-1,3-dienyl]-8,8-diphenylcyclonona-1,3,6-triene;2-methylpropane
PubChem CID155718078
Molecular FormulaC31H36
Molecular Weight408.63 g/mol
Exact Mass408.28
IUPAC Name(1Z,3Z,6Z)-9-methylidene-7-[(1Z,3Z)-penta-1,3-dienyl]-8,8-diphenylcyclonona-1,3,6-triene;2-methylpropane
SMILESC=C1/C=C\C=C/C/C=C(/C=C\C=C/C)C1(c1ccccc1)c1ccccc1.CC(C)C
InChIInChI=1S/C27H26.C4H10/c1-3-4-9-17-24-18-11-6-5-10-16-23(2)27(24,25-19-12-7-13-20-25)26-21-14-8-15-22-26;1-4(2)3/h3-10,12-22H,2,11H2,1H3;4H,1-3H3/b4-3-,6-5-,16-10-,17-9-,24-18-;
InChIKeyRHYFRXKAIMRNEM-UZGXJVMTSA-N
XLogP8.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.63
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1Z,3Z,6Z)-9-methylidene-7-[(1Z,3Z)-penta-1,3-dienyl]-8,8-diphenylcyclonona-1,3,6-triene;2-methylpropane 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 (1Z,3Z,6Z)-9-methylidene-7-[(1Z,3Z)-penta-1,3-dienyl]-8,8-diphenylcyclonona-1,3,6-triene;2-methylpropane?
The IUPAC name of (1Z,3Z,6Z)-9-methylidene-7-[(1Z,3Z)-penta-1,3-dienyl]-8,8-diphenylcyclonona-1,3,6-triene;2-methylpropane (CID 155718078) is (1Z,3Z,6Z)-9-methylidene-7-[(1Z,3Z)-penta-1,3-dienyl]-8,8-diphenylcyclonona-1,3,6-triene;2-methylpropane.
What is the SMILES notation for (1Z,3Z,6Z)-9-methylidene-7-[(1Z,3Z)-penta-1,3-dienyl]-8,8-diphenylcyclonona-1,3,6-triene;2-methylpropane?
The canonical SMILES for (1Z,3Z,6Z)-9-methylidene-7-[(1Z,3Z)-penta-1,3-dienyl]-8,8-diphenylcyclonona-1,3,6-triene;2-methylpropane is C=C1/C=C\C=C/C/C=C(/C=C\C=C/C)C1(c1ccccc1)c1ccccc1.CC(C)C.
What is the InChIKey of (1Z,3Z,6Z)-9-methylidene-7-[(1Z,3Z)-penta-1,3-dienyl]-8,8-diphenylcyclonona-1,3,6-triene;2-methylpropane?
The InChIKey is RHYFRXKAIMRNEM-UZGXJVMTSA-N. The full InChI is InChI=1S/C27H26.C4H10/c1-3-4-9-17-24-18-11-6-5-10-16-23(2)27(24,25-19-12-7-13-20-25)26-21-14-8-15-22-26;1-4(2)3/h3-10,12-22H,2,11H2,1H3;4H,1-3H3/b4-3-,6-5-,16-10-,17-9-,24-18-;.
What are the key properties of (1Z,3Z,6Z)-9-methylidene-7-[(1Z,3Z)-penta-1,3-dienyl]-8,8-diphenylcyclonona-1,3,6-triene;2-methylpropane?
(1Z,3Z,6Z)-9-methylidene-7-[(1Z,3Z)-penta-1,3-dienyl]-8,8-diphenylcyclonona-1,3,6-triene;2-methylpropane has a molecular weight of 408.63 g/mol, XLogP of 8.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,6Z)-9-methylidene-7-[(1Z,3Z)-penta-1,3-dienyl]-8,8-diphenylcyclonona-1,3,6-triene;2-methylpropane is sourced from PubChem (CID 155718078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).