1,2-bis[(1Z,3E)-3-methyl-4-phenylbuta-1,3-dienyl]benzene

C28H26 — CID 56654558

IUPAC1,2-bis[(1Z,3E)-3-methyl-4-phenylbuta-1,3-dienyl]benzene
SMILESCC(/C=C\c1ccccc1/C=C\C(C)=C\c1ccccc1)=C\c1ccccc1
InChIInChI=1S/C28H26/c1-23(21-25-11-5-3-6-12-25)17-19-27-15-9-10-16-28(27)20-18-24(2)22-26-13-7-4-8-14-26/h3-22H,1-2H3/b19-17-,20-18-,23-21+,24-22+
InChIKeyLJPIRNIABQMGQF-PKFJFACDSA-N
MW362.52 g/mol
LogP7.92
Rot. Bonds6

About 1,2-bis[(1Z,3E)-3-methyl-4-phenylbuta-1,3-dienyl]benzene

1,2-bis[(1Z,3E)-3-methyl-4-phenylbuta-1,3-dienyl]benzene (PubChem CID 56654558) has the molecular formula C28H26 and a molecular weight of 362.52 g/mol. Its IUPAC name is 1,2-bis[(1Z,3E)-3-methyl-4-phenylbuta-1,3-dienyl]benzene.

Molecular Properties

Compound Name1,2-bis[(1Z,3E)-3-methyl-4-phenylbuta-1,3-dienyl]benzene
PubChem CID56654558
Molecular FormulaC28H26
Molecular Weight362.52 g/mol
Exact Mass362.20
IUPAC Name1,2-bis[(1Z,3E)-3-methyl-4-phenylbuta-1,3-dienyl]benzene
SMILESCC(/C=C\c1ccccc1/C=C\C(C)=C\c1ccccc1)=C\c1ccccc1
InChIInChI=1S/C28H26/c1-23(21-25-11-5-3-6-12-25)17-19-27-15-9-10-16-28(27)20-18-24(2)22-26-13-7-4-8-14-26/h3-22H,1-2H3/b19-17-,20-18-,23-21+,24-22+
InChIKeyLJPIRNIABQMGQF-PKFJFACDSA-N
XLogP7.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(1Z,3E)-3-methyl-4-phenylbuta-1,3-dienyl]benzene?
The IUPAC name of 1,2-bis[(1Z,3E)-3-methyl-4-phenylbuta-1,3-dienyl]benzene (CID 56654558) is 1,2-bis[(1Z,3E)-3-methyl-4-phenylbuta-1,3-dienyl]benzene.
What is the SMILES notation for 1,2-bis[(1Z,3E)-3-methyl-4-phenylbuta-1,3-dienyl]benzene?
The canonical SMILES for 1,2-bis[(1Z,3E)-3-methyl-4-phenylbuta-1,3-dienyl]benzene is CC(/C=C\c1ccccc1/C=C\C(C)=C\c1ccccc1)=C\c1ccccc1.
What is the InChIKey of 1,2-bis[(1Z,3E)-3-methyl-4-phenylbuta-1,3-dienyl]benzene?
The InChIKey is LJPIRNIABQMGQF-PKFJFACDSA-N. The full InChI is InChI=1S/C28H26/c1-23(21-25-11-5-3-6-12-25)17-19-27-15-9-10-16-28(27)20-18-24(2)22-26-13-7-4-8-14-26/h3-22H,1-2H3/b19-17-,20-18-,23-21+,24-22+.
What are the key properties of 1,2-bis[(1Z,3E)-3-methyl-4-phenylbuta-1,3-dienyl]benzene?
1,2-bis[(1Z,3E)-3-methyl-4-phenylbuta-1,3-dienyl]benzene has a molecular weight of 362.52 g/mol, XLogP of 7.92, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(1Z,3E)-3-methyl-4-phenylbuta-1,3-dienyl]benzene is sourced from PubChem (CID 56654558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).