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

C68H56Cl4Fe2P4Pd2 — CID 131740436

IUPACtetrakis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);bis(dichloropalladium);bis(iron(2+))
SMILESCl[Pd]Cl.Cl[Pd]Cl.[Fe+2].[Fe+2].c1ccc(P(c2ccccc2)c2cc[cH-]c2)cc1.c1ccc(P(c2ccccc2)c2cc[cH-]c2)cc1.c1ccc(P(c2ccccc2)c2cc[cH-]c2)cc1.c1ccc(P(c2ccccc2)c2cc[cH-]c2)cc1
InChIInChI=1S/4C17H14P.4ClH.2Fe.2Pd/c4*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;;;;;;;;/h4*1-14H;4*1H;;;;/q4*-1;;;;;4*+2/p-4
InChIKeyUPCWHSBAMVTSFZ-UHFFFAOYSA-J
MW1463.43 g/mol
LogP15.40
Rot. Bonds12

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

tetrakis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);bis(dichloropalladium);bis(iron(2+)) (PubChem CID 131740436) has the molecular formula C68H56Cl4Fe2P4Pd2 and a molecular weight of 1463.43 g/mol. Its IUPAC name is tetrakis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);bis(dichloropalladium);bis(iron(2+)).

Molecular Properties

Compound Nametetrakis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);bis(dichloropalladium);bis(iron(2+))
PubChem CID131740436
Molecular FormulaC68H56Cl4Fe2P4Pd2
Molecular Weight1463.43 g/mol
Exact Mass1459.89
IUPAC Nametetrakis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);bis(dichloropalladium);bis(iron(2+))
SMILESCl[Pd]Cl.Cl[Pd]Cl.[Fe+2].[Fe+2].c1ccc(P(c2ccccc2)c2cc[cH-]c2)cc1.c1ccc(P(c2ccccc2)c2cc[cH-]c2)cc1.c1ccc(P(c2ccccc2)c2cc[cH-]c2)cc1.c1ccc(P(c2ccccc2)c2cc[cH-]c2)cc1
InChIInChI=1S/4C17H14P.4ClH.2Fe.2Pd/c4*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;;;;;;;;/h4*1-14H;4*1H;;;;/q4*-1;;;;;4*+2/p-4
InChIKeyUPCWHSBAMVTSFZ-UHFFFAOYSA-J
XLogP15.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001463.43
LogP ≤ 515.40
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

argon;bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);dichloropalladium;iron(2+)
CID 131729371
bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);iron(2+);trichloropalladium
CID 131739839
cyclopenta-1,4-dien-1-yl(diphenyl)phosphane;iron
CID 140759998
cyclopenta-1,4-dien-1-yl(diphenyl)phosphane;ditert-butyl(cyclopenta-1,4-dien-1-yl)phosphane;iron(2+)
CID 71311578
dichloropalladium;ethene;bis(triphenylphosphane)
CID 44891218
dichloropalladium;diiodocopper;bis(triphenylphosphane)
CID 173103937
triphenylphosphane
CID 139056248
chlorogold;triphenylphosphane
CID 10874691
chlorosilver;triphenylphosphane
CID 12824775
plutonium;triphenylphosphane
CID 161300359
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
CID 87948921
CID 87948921

Frequently Asked Questions

What is the IUPAC name of tetrakis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);bis(dichloropalladium);bis(iron(2+))?
The IUPAC name of tetrakis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);bis(dichloropalladium);bis(iron(2+)) (CID 131740436) is tetrakis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);bis(dichloropalladium);bis(iron(2+)).
What is the SMILES notation for tetrakis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);bis(dichloropalladium);bis(iron(2+))?
The canonical SMILES for tetrakis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);bis(dichloropalladium);bis(iron(2+)) is Cl[Pd]Cl.Cl[Pd]Cl.[Fe+2].[Fe+2].c1ccc(P(c2ccccc2)c2cc[cH-]c2)cc1.c1ccc(P(c2ccccc2)c2cc[cH-]c2)cc1.c1ccc(P(c2ccccc2)c2cc[cH-]c2)cc1.c1ccc(P(c2ccccc2)c2cc[cH-]c2)cc1.
What is the InChIKey of tetrakis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);bis(dichloropalladium);bis(iron(2+))?
The InChIKey is UPCWHSBAMVTSFZ-UHFFFAOYSA-J. The full InChI is InChI=1S/4C17H14P.4ClH.2Fe.2Pd/c4*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;;;;;;;;/h4*1-14H;4*1H;;;;/q4*-1;;;;;4*+2/p-4.
What are the key properties of tetrakis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);bis(dichloropalladium);bis(iron(2+))?
tetrakis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);bis(dichloropalladium);bis(iron(2+)) has a molecular weight of 1463.43 g/mol, XLogP of 15.40, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);bis(dichloropalladium);bis(iron(2+)) is sourced from PubChem (CID 131740436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).