[(3E)-1-cyclohexa-1,5-dien-1-yl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene

C28H32 — CID 144537021

IUPAC[(3E)-1-cyclohexa-1,5-dien-1-yl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene
SMILESC=C/C=C(\C=C/C)C(c1ccccc1)C(C1=CCCC=C1)C1=CCC(C)C=C1
InChIInChI=1S/C28H32/c1-4-12-23(13-5-2)27(24-14-8-6-9-15-24)28(25-16-10-7-11-17-25)26-20-18-22(3)19-21-26/h4-6,8-10,12-18,20-22,27-28H,1,7,11,19H2,2-3H3/b13-5-,23-12+
InChIKeyIWIGGAJWUYJOHI-GXAPCHJBSA-N
MW368.56 g/mol
LogP7.87
Rot. Bonds7

About [(3E)-1-cyclohexa-1,5-dien-1-yl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene

[(3E)-1-cyclohexa-1,5-dien-1-yl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene (PubChem CID 144537021) has the molecular formula C28H32 and a molecular weight of 368.56 g/mol. Its IUPAC name is [(3E)-1-cyclohexa-1,5-dien-1-yl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene.

Molecular Properties

Compound Name[(3E)-1-cyclohexa-1,5-dien-1-yl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene
PubChem CID144537021
Molecular FormulaC28H32
Molecular Weight368.56 g/mol
Exact Mass368.25
IUPAC Name[(3E)-1-cyclohexa-1,5-dien-1-yl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene
SMILESC=C/C=C(\C=C/C)C(c1ccccc1)C(C1=CCCC=C1)C1=CCC(C)C=C1
InChIInChI=1S/C28H32/c1-4-12-23(13-5-2)27(24-14-8-6-9-15-24)28(25-16-10-7-11-17-25)26-20-18-22(3)19-21-26/h4-6,8-10,12-18,20-22,27-28H,1,7,11,19H2,2-3H3/b13-5-,23-12+
InChIKeyIWIGGAJWUYJOHI-GXAPCHJBSA-N
XLogP7.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(3E)-1-cyclohexa-1,5-dien-1-yl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene 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 [(3E)-1-cyclohexa-1,5-dien-1-yl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene?
The IUPAC name of [(3E)-1-cyclohexa-1,5-dien-1-yl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene (CID 144537021) is [(3E)-1-cyclohexa-1,5-dien-1-yl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene.
What is the SMILES notation for [(3E)-1-cyclohexa-1,5-dien-1-yl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene?
The canonical SMILES for [(3E)-1-cyclohexa-1,5-dien-1-yl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene is C=C/C=C(\C=C/C)C(c1ccccc1)C(C1=CCCC=C1)C1=CCC(C)C=C1.
What is the InChIKey of [(3E)-1-cyclohexa-1,5-dien-1-yl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene?
The InChIKey is IWIGGAJWUYJOHI-GXAPCHJBSA-N. The full InChI is InChI=1S/C28H32/c1-4-12-23(13-5-2)27(24-14-8-6-9-15-24)28(25-16-10-7-11-17-25)26-20-18-22(3)19-21-26/h4-6,8-10,12-18,20-22,27-28H,1,7,11,19H2,2-3H3/b13-5-,23-12+.
What are the key properties of [(3E)-1-cyclohexa-1,5-dien-1-yl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene?
[(3E)-1-cyclohexa-1,5-dien-1-yl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene has a molecular weight of 368.56 g/mol, XLogP of 7.87, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-1-cyclohexa-1,5-dien-1-yl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene is sourced from PubChem (CID 144537021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).