cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;(2,3-dichlorocyclopenta-1,4-dien-1-yl)-diphenylphosphane;iron(2+);palladium(2+)

C34H26Cl2FeP2Pd+2 — CID 131726015

IUPACcyclopenta-1,3-dien-1-yl(diphenyl)phosphane;(2,3-dichlorocyclopenta-1,4-dien-1-yl)-diphenylphosphane;iron(2+);palladium(2+)
SMILESClc1c(P(c2ccccc2)c2ccccc2)cc[c-]1Cl.[Fe+2].[Pd+2].c1ccc(P(c2ccccc2)c2ccc[cH-]2)cc1
InChIInChI=1S/C17H12Cl2P.C17H14P.Fe.Pd/c18-15-11-12-16(17(15)19)20(13-7-3-1-4-8-13)14-9-5-2-6-10-14;1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;;/h1-12H;1-14H;;/q2*-1;2*+2
InChIKeyPJWNYQHYTDZRPS-UHFFFAOYSA-N
MW729.70 g/mol
LogP7.63
Rot. Bonds6

About cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;(2,3-dichlorocyclopenta-1,4-dien-1-yl)-diphenylphosphane;iron(2+);palladium(2+)

cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;(2,3-dichlorocyclopenta-1,4-dien-1-yl)-diphenylphosphane;iron(2+);palladium(2+) (PubChem CID 131726015) has the molecular formula C34H26Cl2FeP2Pd+2 and a molecular weight of 729.70 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;(2,3-dichlorocyclopenta-1,4-dien-1-yl)-diphenylphosphane;iron(2+);palladium(2+).

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-yl(diphenyl)phosphane;(2,3-dichlorocyclopenta-1,4-dien-1-yl)-diphenylphosphane;iron(2+);palladium(2+)
PubChem CID131726015
Molecular FormulaC34H26Cl2FeP2Pd+2
Molecular Weight729.70 g/mol
Exact Mass727.93
IUPAC Namecyclopenta-1,3-dien-1-yl(diphenyl)phosphane;(2,3-dichlorocyclopenta-1,4-dien-1-yl)-diphenylphosphane;iron(2+);palladium(2+)
SMILESClc1c(P(c2ccccc2)c2ccccc2)cc[c-]1Cl.[Fe+2].[Pd+2].c1ccc(P(c2ccccc2)c2ccc[cH-]2)cc1
InChIInChI=1S/C17H12Cl2P.C17H14P.Fe.Pd/c18-15-11-12-16(17(15)19)20(13-7-3-1-4-8-13)14-9-5-2-6-10-14;1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;;/h1-12H;1-14H;;/q2*-1;2*+2
InChIKeyPJWNYQHYTDZRPS-UHFFFAOYSA-N
XLogP7.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.70
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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CID 175727216
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CID 161287754
cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron(2+)
CID 71311283
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CID 174974517
triphenylphosphane
CID 139056248
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CID 87829129
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CID 5108470
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CID 10874691
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CID 175798666

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;(2,3-dichlorocyclopenta-1,4-dien-1-yl)-diphenylphosphane;iron(2+);palladium(2+)?
The IUPAC name of cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;(2,3-dichlorocyclopenta-1,4-dien-1-yl)-diphenylphosphane;iron(2+);palladium(2+) (CID 131726015) is cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;(2,3-dichlorocyclopenta-1,4-dien-1-yl)-diphenylphosphane;iron(2+);palladium(2+).
What is the SMILES notation for cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;(2,3-dichlorocyclopenta-1,4-dien-1-yl)-diphenylphosphane;iron(2+);palladium(2+)?
The canonical SMILES for cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;(2,3-dichlorocyclopenta-1,4-dien-1-yl)-diphenylphosphane;iron(2+);palladium(2+) is Clc1c(P(c2ccccc2)c2ccccc2)cc[c-]1Cl.[Fe+2].[Pd+2].c1ccc(P(c2ccccc2)c2ccc[cH-]2)cc1.
What is the InChIKey of cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;(2,3-dichlorocyclopenta-1,4-dien-1-yl)-diphenylphosphane;iron(2+);palladium(2+)?
The InChIKey is PJWNYQHYTDZRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2P.C17H14P.Fe.Pd/c18-15-11-12-16(17(15)19)20(13-7-3-1-4-8-13)14-9-5-2-6-10-14;1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;;/h1-12H;1-14H;;/q2*-1;2*+2.
What are the key properties of cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;(2,3-dichlorocyclopenta-1,4-dien-1-yl)-diphenylphosphane;iron(2+);palladium(2+)?
cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;(2,3-dichlorocyclopenta-1,4-dien-1-yl)-diphenylphosphane;iron(2+);palladium(2+) has a molecular weight of 729.70 g/mol, XLogP of 7.63, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;(2,3-dichlorocyclopenta-1,4-dien-1-yl)-diphenylphosphane;iron(2+);palladium(2+) is sourced from PubChem (CID 131726015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).