chloroform;tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);4-diphenylphosphanylbutyl(diphenyl)phosphane;bis(palladium)

C80H71Cl3O3P2Pd2 — CID 11982125

IUPACchloroform;tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);4-diphenylphosphanylbutyl(diphenyl)phosphane;bis(palladium)
SMILESClC(Cl)Cl.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H28P2.3C17H14O.CHCl3.2Pd/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;2-1(3)4;;/h1-12,15-22H,13-14,23-24H2;3*1-14H;1H;;/b;3*13-11+,14-12+;;;
InChIKeyBVVAYRQZIZWFBG-RIQWSQAZSA-N
MW1461.59 g/mol
LogP19.96
Rot. Bonds21

About chloroform;tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);4-diphenylphosphanylbutyl(diphenyl)phosphane;bis(palladium)

chloroform;tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);4-diphenylphosphanylbutyl(diphenyl)phosphane;bis(palladium) (PubChem CID 11982125) has the molecular formula C80H71Cl3O3P2Pd2 and a molecular weight of 1461.59 g/mol. Its IUPAC name is chloroform;tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);4-diphenylphosphanylbutyl(diphenyl)phosphane;bis(palladium).

Molecular Properties

Compound Namechloroform;tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);4-diphenylphosphanylbutyl(diphenyl)phosphane;bis(palladium)
PubChem CID11982125
Molecular FormulaC80H71Cl3O3P2Pd2
Molecular Weight1461.59 g/mol
Exact Mass1458.20
IUPAC Namechloroform;tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);4-diphenylphosphanylbutyl(diphenyl)phosphane;bis(palladium)
SMILESClC(Cl)Cl.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H28P2.3C17H14O.CHCl3.2Pd/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;2-1(3)4;;/h1-12,15-22H,13-14,23-24H2;3*1-14H;1H;;/b;3*13-11+,14-12+;;;
InChIKeyBVVAYRQZIZWFBG-RIQWSQAZSA-N
XLogP19.96
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001461.59
LogP ≤ 519.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

chloroform;tris(1,5-diphenylpenta-1,4-dien-3-one);palladium
CID 24983555
chloroform;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;bis(palladium)
CID 102565376
tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
CID 140752753
(1Z,4Z)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
CID 154825040
(1Z,4E)-1,5-diphenylpenta-1,4-dien-3-one;triphenylphosphane
CID 87515115
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)
CID 161273372
1,5-diphenylpenta-1,4-dien-3-one;hydrochloride
CID 70139846
azane;1,5-diphenylpenta-1,4-dien-3-one
CID 172776077
cesium;carbonic acid;tris(1,5-diphenylpenta-1,4-dien-3-one);hydride;bis(palladium)
CID 174910906
(1Z,4E)-1-hydroxy-5-phenylpenta-1,4-dien-3-one
CID 12748773

Frequently Asked Questions

What is the IUPAC name of chloroform;tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);4-diphenylphosphanylbutyl(diphenyl)phosphane;bis(palladium)?
The IUPAC name of chloroform;tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);4-diphenylphosphanylbutyl(diphenyl)phosphane;bis(palladium) (CID 11982125) is chloroform;tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);4-diphenylphosphanylbutyl(diphenyl)phosphane;bis(palladium).
What is the SMILES notation for chloroform;tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);4-diphenylphosphanylbutyl(diphenyl)phosphane;bis(palladium)?
The canonical SMILES for chloroform;tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);4-diphenylphosphanylbutyl(diphenyl)phosphane;bis(palladium) is ClC(Cl)Cl.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of chloroform;tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);4-diphenylphosphanylbutyl(diphenyl)phosphane;bis(palladium)?
The InChIKey is BVVAYRQZIZWFBG-RIQWSQAZSA-N. The full InChI is InChI=1S/C28H28P2.3C17H14O.CHCl3.2Pd/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;2-1(3)4;;/h1-12,15-22H,13-14,23-24H2;3*1-14H;1H;;/b;3*13-11+,14-12+;;;.
What are the key properties of chloroform;tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);4-diphenylphosphanylbutyl(diphenyl)phosphane;bis(palladium)?
chloroform;tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);4-diphenylphosphanylbutyl(diphenyl)phosphane;bis(palladium) has a molecular weight of 1461.59 g/mol, XLogP of 19.96, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);4-diphenylphosphanylbutyl(diphenyl)phosphane;bis(palladium) is sourced from PubChem (CID 11982125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).