chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane

C26H24ClNiP2 — CID 12000429

IUPACchloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane
SMILESCl[Ni].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.ClH.Ni/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;;/h1-20H,21-22H2;1H;/q;;+1/p-1
InChIKeyMERCRPNVWAGSFZ-UHFFFAOYSA-M
MW492.57 g/mol
LogP5.94
Rot. Bonds7

About chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane

chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane (PubChem CID 12000429) has the molecular formula C26H24ClNiP2 and a molecular weight of 492.57 g/mol. Its IUPAC name is chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane.

Molecular Properties

Compound Namechloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane
PubChem CID12000429
Molecular FormulaC26H24ClNiP2
Molecular Weight492.57 g/mol
Exact Mass491.04
IUPAC Namechloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane
SMILESCl[Ni].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.ClH.Ni/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;;/h1-20H,21-22H2;1H;/q;;+1/p-1
InChIKeyMERCRPNVWAGSFZ-UHFFFAOYSA-M
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.57
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
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bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)
CID 15017629
2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(1+));bis(triphenylphosphane);dichloride
CID 11981349
cycloocta-1,5-diene;2-diphenylphosphanylethyl(diphenyl)phosphane;iridium
CID 172852253
2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium
CID 90421643
diphenylphosphanylmethyl(diphenyl)phosphane;sulfane
CID 18991635
bis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium
CID 87455708
CID 13086823
CID 13086823
diphenyl(2-trimethylstannylethyl)phosphane
CID 13153746
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CID 175149268
CID 10930139
CID 10930139

Frequently Asked Questions

What is the IUPAC name of chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane?
The IUPAC name of chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane (CID 12000429) is chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane.
What is the SMILES notation for chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane?
The canonical SMILES for chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane is Cl[Ni].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane?
The InChIKey is MERCRPNVWAGSFZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H24P2.ClH.Ni/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;;/h1-20H,21-22H2;1H;/q;;+1/p-1.
What are the key properties of chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane?
chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane has a molecular weight of 492.57 g/mol, XLogP of 5.94, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane is sourced from PubChem (CID 12000429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).