benzene;cyclopentane;2-diphenylphosphanylethyl(diphenyl)phosphane;ethynylcyclopentane;iron(2+);platinum(2+)

C44H48FeP2Pt+2 — CID 23229290

IUPACbenzene;cyclopentane;2-diphenylphosphanylethyl(diphenyl)phosphane;ethynylcyclopentane;iron(2+);platinum(2+)
SMILESC1CCCC1.[C-]#CC1CCCC1.[Fe+2].[Pt+2].[c-]1ccccc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.C7H9.C6H5.C5H10.Fe.Pt/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-2-7-5-3-4-6-7;1-2-4-6-5-3-1;1-2-4-5-3-1;;/h1-20H,21-22H2;7H,3-6H2;1-5H;1-5H2;;/q;2*-1;;2*+2
InChIKeyIDQVDMBRYREQAC-UHFFFAOYSA-N
MW889.74 g/mol
LogP10.45
Rot. Bonds7

About benzene;cyclopentane;2-diphenylphosphanylethyl(diphenyl)phosphane;ethynylcyclopentane;iron(2+);platinum(2+)

benzene;cyclopentane;2-diphenylphosphanylethyl(diphenyl)phosphane;ethynylcyclopentane;iron(2+);platinum(2+) (PubChem CID 23229290) has the molecular formula C44H48FeP2Pt+2 and a molecular weight of 889.74 g/mol. Its IUPAC name is benzene;cyclopentane;2-diphenylphosphanylethyl(diphenyl)phosphane;ethynylcyclopentane;iron(2+);platinum(2+).

Molecular Properties

Compound Namebenzene;cyclopentane;2-diphenylphosphanylethyl(diphenyl)phosphane;ethynylcyclopentane;iron(2+);platinum(2+)
PubChem CID23229290
Molecular FormulaC44H48FeP2Pt+2
Molecular Weight889.74 g/mol
Exact Mass889.22
IUPAC Namebenzene;cyclopentane;2-diphenylphosphanylethyl(diphenyl)phosphane;ethynylcyclopentane;iron(2+);platinum(2+)
SMILESC1CCCC1.[C-]#CC1CCCC1.[Fe+2].[Pt+2].[c-]1ccccc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.C7H9.C6H5.C5H10.Fe.Pt/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-2-7-5-3-4-6-7;1-2-4-6-5-3-1;1-2-4-5-3-1;;/h1-20H,21-22H2;7H,3-6H2;1-5H;1-5H2;;/q;2*-1;;2*+2
InChIKeyIDQVDMBRYREQAC-UHFFFAOYSA-N
XLogP10.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.74
LogP ≤ 510.45
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

benzene;[4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;bis(gold(1+))
CID 135082503
benzene;2-diphenylphosphanylethyl(diphenyl)phosphane;palladium(2+);2-phenylethynethiolate
CID 134927789
2-diphenylphosphanylethyl(diphenyl)phosphane;iodopalladium(1+);methylbenzene
CID 15351395
bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)
CID 15017629
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
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bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421
3-cyclohexylbutyl(diphenyl)phosphane
CID 53471136
2-dicyclohexylphosphanyl-N-(2-diphenylphosphanylethyl)ethanimine
CID 122386943
cyclohexyl-phenyl-[4-[4-[phenyl(propyl)phosphanyl]phenyl]phenyl]phosphane
CID 167282833
CID 10930139
CID 10930139
chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 12000429
bis(acetonitrile);bis(copper(1+));bis(2-diphenylphosphanylethyl(diphenyl)phosphane);perchlorate
CID 10441227

Frequently Asked Questions

What is the IUPAC name of benzene;cyclopentane;2-diphenylphosphanylethyl(diphenyl)phosphane;ethynylcyclopentane;iron(2+);platinum(2+)?
The IUPAC name of benzene;cyclopentane;2-diphenylphosphanylethyl(diphenyl)phosphane;ethynylcyclopentane;iron(2+);platinum(2+) (CID 23229290) is benzene;cyclopentane;2-diphenylphosphanylethyl(diphenyl)phosphane;ethynylcyclopentane;iron(2+);platinum(2+).
What is the SMILES notation for benzene;cyclopentane;2-diphenylphosphanylethyl(diphenyl)phosphane;ethynylcyclopentane;iron(2+);platinum(2+)?
The canonical SMILES for benzene;cyclopentane;2-diphenylphosphanylethyl(diphenyl)phosphane;ethynylcyclopentane;iron(2+);platinum(2+) is C1CCCC1.[C-]#CC1CCCC1.[Fe+2].[Pt+2].[c-]1ccccc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of benzene;cyclopentane;2-diphenylphosphanylethyl(diphenyl)phosphane;ethynylcyclopentane;iron(2+);platinum(2+)?
The InChIKey is IDQVDMBRYREQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24P2.C7H9.C6H5.C5H10.Fe.Pt/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-2-7-5-3-4-6-7;1-2-4-6-5-3-1;1-2-4-5-3-1;;/h1-20H,21-22H2;7H,3-6H2;1-5H;1-5H2;;/q;2*-1;;2*+2.
What are the key properties of benzene;cyclopentane;2-diphenylphosphanylethyl(diphenyl)phosphane;ethynylcyclopentane;iron(2+);platinum(2+)?
benzene;cyclopentane;2-diphenylphosphanylethyl(diphenyl)phosphane;ethynylcyclopentane;iron(2+);platinum(2+) has a molecular weight of 889.74 g/mol, XLogP of 10.45, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;cyclopentane;2-diphenylphosphanylethyl(diphenyl)phosphane;ethynylcyclopentane;iron(2+);platinum(2+) is sourced from PubChem (CID 23229290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).