(1Z,4E)-1,5-diphenylpenta-1,4-dien-3-one;triphenylphosphane

C35H29OP — CID 87515115

IUPAC(1Z,4E)-1,5-diphenylpenta-1,4-dien-3-one;triphenylphosphane
SMILESO=C(/C=C\c1ccccc1)/C=C/c1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C17H14O/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-15H;1-14H/b;13-11-,14-12+
InChIKeyAMOPESIPYPODOC-OYDBFSSJSA-N
MW496.59 g/mol
LogP7.43
Rot. Bonds7

About (1Z,4E)-1,5-diphenylpenta-1,4-dien-3-one;triphenylphosphane

(1Z,4E)-1,5-diphenylpenta-1,4-dien-3-one;triphenylphosphane (PubChem CID 87515115) has the molecular formula C35H29OP and a molecular weight of 496.59 g/mol. Its IUPAC name is (1Z,4E)-1,5-diphenylpenta-1,4-dien-3-one;triphenylphosphane.

Molecular Properties

Compound Name(1Z,4E)-1,5-diphenylpenta-1,4-dien-3-one;triphenylphosphane
PubChem CID87515115
Molecular FormulaC35H29OP
Molecular Weight496.59 g/mol
Exact Mass496.20
IUPAC Name(1Z,4E)-1,5-diphenylpenta-1,4-dien-3-one;triphenylphosphane
SMILESO=C(/C=C\c1ccccc1)/C=C/c1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C17H14O/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-15H;1-14H/b;13-11-,14-12+
InChIKeyAMOPESIPYPODOC-OYDBFSSJSA-N
XLogP7.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.59
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)
CID 161273372
azane;1,5-diphenylpenta-1,4-dien-3-one
CID 172776077
(1Z,4Z)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
CID 154825040
1,5-diphenylpenta-1,4-dien-3-one;hydrochloride
CID 70139846
tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
CID 140752753
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
(1Z,4E)-1-hydroxy-5-phenylpenta-1,4-dien-3-one
CID 12748773
(2E,5E)-4-oxo-6-phenylhexa-2,5-dienoic acid
CID 14270149
cesium;carbonic acid;tris(1,5-diphenylpenta-1,4-dien-3-one);hydride;bis(palladium)
CID 174910906
chloroform;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;bis(palladium)
CID 102565376
chloroform;tris(1,5-diphenylpenta-1,4-dien-3-one);palladium
CID 24983555

Frequently Asked Questions

What is the IUPAC name of (1Z,4E)-1,5-diphenylpenta-1,4-dien-3-one;triphenylphosphane?
The IUPAC name of (1Z,4E)-1,5-diphenylpenta-1,4-dien-3-one;triphenylphosphane (CID 87515115) is (1Z,4E)-1,5-diphenylpenta-1,4-dien-3-one;triphenylphosphane.
What is the SMILES notation for (1Z,4E)-1,5-diphenylpenta-1,4-dien-3-one;triphenylphosphane?
The canonical SMILES for (1Z,4E)-1,5-diphenylpenta-1,4-dien-3-one;triphenylphosphane is O=C(/C=C\c1ccccc1)/C=C/c1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (1Z,4E)-1,5-diphenylpenta-1,4-dien-3-one;triphenylphosphane?
The InChIKey is AMOPESIPYPODOC-OYDBFSSJSA-N. The full InChI is InChI=1S/C18H15P.C17H14O/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-15H;1-14H/b;13-11-,14-12+.
What are the key properties of (1Z,4E)-1,5-diphenylpenta-1,4-dien-3-one;triphenylphosphane?
(1Z,4E)-1,5-diphenylpenta-1,4-dien-3-one;triphenylphosphane has a molecular weight of 496.59 g/mol, XLogP of 7.43, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4E)-1,5-diphenylpenta-1,4-dien-3-one;triphenylphosphane is sourced from PubChem (CID 87515115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).