[(3E,5Z)-1,9-diphenylnona-3,5-dien-5-yl]benzene

C27H28 — CID 16664377

IUPAC[(3E,5Z)-1,9-diphenylnona-3,5-dien-5-yl]benzene
SMILESC(\CCCc1ccccc1)=C(/C=C/CCc1ccccc1)c1ccccc1
InChIInChI=1S/C27H28/c1-4-14-24(15-5-1)18-10-12-22-27(26-20-8-3-9-21-26)23-13-11-19-25-16-6-2-7-17-25/h1-9,12,14-17,20-23H,10-11,13,18-19H2/b22-12+,27-23-
InChIKeyCSZQPRKNQUSLJP-JMXNDKRMSA-N
MW352.52 g/mol
LogP7.28
Rot. Bonds9

About [(3E,5Z)-1,9-diphenylnona-3,5-dien-5-yl]benzene

[(3E,5Z)-1,9-diphenylnona-3,5-dien-5-yl]benzene (PubChem CID 16664377) has the molecular formula C27H28 and a molecular weight of 352.52 g/mol. Its IUPAC name is [(3E,5Z)-1,9-diphenylnona-3,5-dien-5-yl]benzene.

Molecular Properties

Compound Name[(3E,5Z)-1,9-diphenylnona-3,5-dien-5-yl]benzene
PubChem CID16664377
Molecular FormulaC27H28
Molecular Weight352.52 g/mol
Exact Mass352.22
IUPAC Name[(3E,5Z)-1,9-diphenylnona-3,5-dien-5-yl]benzene
SMILESC(\CCCc1ccccc1)=C(/C=C/CCc1ccccc1)c1ccccc1
InChIInChI=1S/C27H28/c1-4-14-24(15-5-1)18-10-12-22-27(26-20-8-3-9-21-26)23-13-11-19-25-16-6-2-7-17-25/h1-9,12,14-17,20-23H,10-11,13,18-19H2/b22-12+,27-23-
InChIKeyCSZQPRKNQUSLJP-JMXNDKRMSA-N
XLogP7.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 14767514
5,5-difluoropent-4-enylbenzene
CID 15268524
[(E)-1-chloro-4-phenylbut-1-enyl]benzene
CID 22020271
5-phenylpent-1-ene-1-sulfonic acid
CID 54140534
(Z)-2-methyl-7-phenylhept-4-en-3-one
CID 101116591
4-[(Z)-1,5-diphenylpent-1-enyl]pyridine-2,6-diamine
CID 159994719
[(E)-5-bromopent-4-enyl]benzene
CID 15076450
[(4E,6E)-undeca-1,4,6-trien-5-yl]benzene
CID 101219180
(E)-1-(4-methylphenyl)-5-phenylpent-2-en-1-one
CID 162644983
(E)-7-phenyl-1-pyrrol-1-ylhept-2-en-1-one
CID 102332503
(E)-N-methyl-5-phenylpent-2-enamide
CID 11321418
(E)-1,7-diphenylhept-4-en-3-one;ethane
CID 91159824

Frequently Asked Questions

What is the IUPAC name of [(3E,5Z)-1,9-diphenylnona-3,5-dien-5-yl]benzene?
The IUPAC name of [(3E,5Z)-1,9-diphenylnona-3,5-dien-5-yl]benzene (CID 16664377) is [(3E,5Z)-1,9-diphenylnona-3,5-dien-5-yl]benzene.
What is the SMILES notation for [(3E,5Z)-1,9-diphenylnona-3,5-dien-5-yl]benzene?
The canonical SMILES for [(3E,5Z)-1,9-diphenylnona-3,5-dien-5-yl]benzene is C(\CCCc1ccccc1)=C(/C=C/CCc1ccccc1)c1ccccc1.
What is the InChIKey of [(3E,5Z)-1,9-diphenylnona-3,5-dien-5-yl]benzene?
The InChIKey is CSZQPRKNQUSLJP-JMXNDKRMSA-N. The full InChI is InChI=1S/C27H28/c1-4-14-24(15-5-1)18-10-12-22-27(26-20-8-3-9-21-26)23-13-11-19-25-16-6-2-7-17-25/h1-9,12,14-17,20-23H,10-11,13,18-19H2/b22-12+,27-23-.
What are the key properties of [(3E,5Z)-1,9-diphenylnona-3,5-dien-5-yl]benzene?
[(3E,5Z)-1,9-diphenylnona-3,5-dien-5-yl]benzene has a molecular weight of 352.52 g/mol, XLogP of 7.28, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-1,9-diphenylnona-3,5-dien-5-yl]benzene is sourced from PubChem (CID 16664377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).