1-(cyclohexylidenemethyl)-4-[1-[4-(cyclohexylidenemethyl)phenyl]prop-1-enyl]benzene

C29H34 — CID 20730995

IUPAC1-(cyclohexylidenemethyl)-4-[1-[4-(cyclohexylidenemethyl)phenyl]prop-1-enyl]benzene
SMILESCC=C(c1ccc(C=C2CCCCC2)cc1)c1ccc(C=C2CCCCC2)cc1
InChIInChI=1S/C29H34/c1-2-29(27-17-13-25(14-18-27)21-23-9-5-3-6-10-23)28-19-15-26(16-20-28)22-24-11-7-4-8-12-24/h2,13-22H,3-12H2,1H3
InChIKeyQKCNDDPRRPFAHH-UHFFFAOYSA-N
MW382.59 g/mol
LogP8.83
Rot. Bonds4

About 1-(cyclohexylidenemethyl)-4-[1-[4-(cyclohexylidenemethyl)phenyl]prop-1-enyl]benzene

1-(cyclohexylidenemethyl)-4-[1-[4-(cyclohexylidenemethyl)phenyl]prop-1-enyl]benzene (PubChem CID 20730995) has the molecular formula C29H34 and a molecular weight of 382.59 g/mol. Its IUPAC name is 1-(cyclohexylidenemethyl)-4-[1-[4-(cyclohexylidenemethyl)phenyl]prop-1-enyl]benzene.

Molecular Properties

Compound Name1-(cyclohexylidenemethyl)-4-[1-[4-(cyclohexylidenemethyl)phenyl]prop-1-enyl]benzene
PubChem CID20730995
Molecular FormulaC29H34
Molecular Weight382.59 g/mol
Exact Mass382.27
IUPAC Name1-(cyclohexylidenemethyl)-4-[1-[4-(cyclohexylidenemethyl)phenyl]prop-1-enyl]benzene
SMILESCC=C(c1ccc(C=C2CCCCC2)cc1)c1ccc(C=C2CCCCC2)cc1
InChIInChI=1S/C29H34/c1-2-29(27-17-13-25(14-18-27)21-23-9-5-3-6-10-23)28-19-15-26(16-20-28)22-24-11-7-4-8-12-24/h2,13-22H,3-12H2,1H3
InChIKeyQKCNDDPRRPFAHH-UHFFFAOYSA-N
XLogP8.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylidenemethyl)-4-[1-[4-(cyclohexylidenemethyl)phenyl]prop-1-enyl]benzene?
The IUPAC name of 1-(cyclohexylidenemethyl)-4-[1-[4-(cyclohexylidenemethyl)phenyl]prop-1-enyl]benzene (CID 20730995) is 1-(cyclohexylidenemethyl)-4-[1-[4-(cyclohexylidenemethyl)phenyl]prop-1-enyl]benzene.
What is the SMILES notation for 1-(cyclohexylidenemethyl)-4-[1-[4-(cyclohexylidenemethyl)phenyl]prop-1-enyl]benzene?
The canonical SMILES for 1-(cyclohexylidenemethyl)-4-[1-[4-(cyclohexylidenemethyl)phenyl]prop-1-enyl]benzene is CC=C(c1ccc(C=C2CCCCC2)cc1)c1ccc(C=C2CCCCC2)cc1.
What is the InChIKey of 1-(cyclohexylidenemethyl)-4-[1-[4-(cyclohexylidenemethyl)phenyl]prop-1-enyl]benzene?
The InChIKey is QKCNDDPRRPFAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34/c1-2-29(27-17-13-25(14-18-27)21-23-9-5-3-6-10-23)28-19-15-26(16-20-28)22-24-11-7-4-8-12-24/h2,13-22H,3-12H2,1H3.
What are the key properties of 1-(cyclohexylidenemethyl)-4-[1-[4-(cyclohexylidenemethyl)phenyl]prop-1-enyl]benzene?
1-(cyclohexylidenemethyl)-4-[1-[4-(cyclohexylidenemethyl)phenyl]prop-1-enyl]benzene has a molecular weight of 382.59 g/mol, XLogP of 8.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylidenemethyl)-4-[1-[4-(cyclohexylidenemethyl)phenyl]prop-1-enyl]benzene is sourced from PubChem (CID 20730995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).