bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);iron(2+);trichloropalladium

C34H28Cl3FeP2Pd — CID 131739839

IUPACbis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);iron(2+);trichloropalladium
SMILESCl[Pd](Cl)Cl.[Fe+2].c1ccc(P(c2ccccc2)c2cc[cH-]c2)cc1.c1ccc(P(c2ccccc2)c2cc[cH-]c2)cc1
InChIInChI=1S/2C17H14P.3ClH.Fe.Pd/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;;;;;/h2*1-14H;3*1H;;/q2*-1;;;;+2;+3/p-3
InChIKeyOLGRAQBIPUFHTF-UHFFFAOYSA-K
MW767.17 g/mol
LogP8.39
Rot. Bonds6

About bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);iron(2+);trichloropalladium

bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);iron(2+);trichloropalladium (PubChem CID 131739839) has the molecular formula C34H28Cl3FeP2Pd and a molecular weight of 767.17 g/mol. Its IUPAC name is bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);iron(2+);trichloropalladium.

Molecular Properties

Compound Namebis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);iron(2+);trichloropalladium
PubChem CID131739839
Molecular FormulaC34H28Cl3FeP2Pd
Molecular Weight767.17 g/mol
Exact Mass764.91
IUPAC Namebis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);iron(2+);trichloropalladium
SMILESCl[Pd](Cl)Cl.[Fe+2].c1ccc(P(c2ccccc2)c2cc[cH-]c2)cc1.c1ccc(P(c2ccccc2)c2cc[cH-]c2)cc1
InChIInChI=1S/2C17H14P.3ClH.Fe.Pd/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;;;;;/h2*1-14H;3*1H;;/q2*-1;;;;+2;+3/p-3
InChIKeyOLGRAQBIPUFHTF-UHFFFAOYSA-K
XLogP8.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.17
LogP ≤ 58.39
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

tetrakis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);bis(dichloropalladium);bis(iron(2+))
CID 131740436
cyclopenta-1,4-dien-1-yl(diphenyl)phosphane;iron
CID 140759998
argon;bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);dichloropalladium;iron(2+)
CID 131729371
cyclopenta-1,4-dien-1-yl(diphenyl)phosphane;ditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane;iron(2+)
CID 71311578
triphenylphosphane
CID 139056248
chlorogold;triphenylphosphane
CID 10874691
chlorosilver;triphenylphosphane
CID 12824775
plutonium;triphenylphosphane
CID 161300359
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
tris(triphenylphosphane);hydrobromide
CID 172722268
tris(triphenylphosphane);trihydrochloride
CID 173282987
palladium;bis(triphenylphosphane)
CID 10122028

Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);iron(2+);trichloropalladium?
The IUPAC name of bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);iron(2+);trichloropalladium (CID 131739839) is bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);iron(2+);trichloropalladium.
What is the SMILES notation for bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);iron(2+);trichloropalladium?
The canonical SMILES for bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);iron(2+);trichloropalladium is Cl[Pd](Cl)Cl.[Fe+2].c1ccc(P(c2ccccc2)c2cc[cH-]c2)cc1.c1ccc(P(c2ccccc2)c2cc[cH-]c2)cc1.
What is the InChIKey of bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);iron(2+);trichloropalladium?
The InChIKey is OLGRAQBIPUFHTF-UHFFFAOYSA-K. The full InChI is InChI=1S/2C17H14P.3ClH.Fe.Pd/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;;;;;/h2*1-14H;3*1H;;/q2*-1;;;;+2;+3/p-3.
What are the key properties of bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);iron(2+);trichloropalladium?
bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);iron(2+);trichloropalladium has a molecular weight of 767.17 g/mol, XLogP of 8.39, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);iron(2+);trichloropalladium is sourced from PubChem (CID 131739839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).