4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)cyclohex-2-en-1-imine

C24H27N — CID 123685322

IUPAC4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)cyclohex-2-en-1-imine
SMILESC1=CCC(C2=CCC(/N=C3\C=CC(C4=CCCC=C4)CC3)C=C2)C=C1
InChIInChI=1S/C24H27N/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1,3-5,7,9-13,15,17,19,22-23H,2,6,8,14,16,18H2/b25-24+
InChIKeyQTAPRIVSOPYGLE-OCOZRVBESA-N
MW329.49 g/mol
LogP6.06
Rot. Bonds3

About 4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)cyclohex-2-en-1-imine

4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)cyclohex-2-en-1-imine (PubChem CID 123685322) has the molecular formula C24H27N and a molecular weight of 329.49 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)cyclohex-2-en-1-imine.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)cyclohex-2-en-1-imine
PubChem CID123685322
Molecular FormulaC24H27N
Molecular Weight329.49 g/mol
Exact Mass329.21
IUPAC Name4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)cyclohex-2-en-1-imine
SMILESC1=CCC(C2=CCC(/N=C3\C=CC(C4=CCCC=C4)CC3)C=C2)C=C1
InChIInChI=1S/C24H27N/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1,3-5,7,9-13,15,17,19,22-23H,2,6,8,14,16,18H2/b25-24+
InChIKeyQTAPRIVSOPYGLE-OCOZRVBESA-N
XLogP6.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.49
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)cyclohex-2-en-1-imine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)cyclohex-2-en-1-imine?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)cyclohex-2-en-1-imine (CID 123685322) is 4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)cyclohex-2-en-1-imine.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)cyclohex-2-en-1-imine?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)cyclohex-2-en-1-imine is C1=CCC(C2=CCC(/N=C3\C=CC(C4=CCCC=C4)CC3)C=C2)C=C1.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)cyclohex-2-en-1-imine?
The InChIKey is QTAPRIVSOPYGLE-OCOZRVBESA-N. The full InChI is InChI=1S/C24H27N/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1,3-5,7,9-13,15,17,19,22-23H,2,6,8,14,16,18H2/b25-24+.
What are the key properties of 4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)cyclohex-2-en-1-imine?
4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)cyclohex-2-en-1-imine has a molecular weight of 329.49 g/mol, XLogP of 6.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)cyclohex-2-en-1-imine is sourced from PubChem (CID 123685322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).