2-(4,5-dimethylphosphinin-2-yl)-4,5-dimethylphosphinine;2-diphenylphosphanylethyl(diphenyl)phosphane;nickel

C40H40NiP4 — CID 15836530

IUPAC2-(4,5-dimethylphosphinin-2-yl)-4,5-dimethylphosphinine;2-diphenylphosphanylethyl(diphenyl)phosphane;nickel
SMILESCc1cpc(-c2cc(C)c(C)cp2)cc1C.[Ni].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.C14H16P2.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;1-9-5-13(15-7-11(9)3)14-6-10(2)12(4)8-16-14;/h1-20H,21-22H2;5-8H,1-4H3;
InChIKeyADLDKKBBYHGWNM-UHFFFAOYSA-N
MW703.35 g/mol
LogP11.00
Rot. Bonds8

About 2-(4,5-dimethylphosphinin-2-yl)-4,5-dimethylphosphinine;2-diphenylphosphanylethyl(diphenyl)phosphane;nickel

2-(4,5-dimethylphosphinin-2-yl)-4,5-dimethylphosphinine;2-diphenylphosphanylethyl(diphenyl)phosphane;nickel (PubChem CID 15836530) has the molecular formula C40H40NiP4 and a molecular weight of 703.35 g/mol. Its IUPAC name is 2-(4,5-dimethylphosphinin-2-yl)-4,5-dimethylphosphinine;2-diphenylphosphanylethyl(diphenyl)phosphane;nickel.

Molecular Properties

Compound Name2-(4,5-dimethylphosphinin-2-yl)-4,5-dimethylphosphinine;2-diphenylphosphanylethyl(diphenyl)phosphane;nickel
PubChem CID15836530
Molecular FormulaC40H40NiP4
Molecular Weight703.35 g/mol
Exact Mass702.14
IUPAC Name2-(4,5-dimethylphosphinin-2-yl)-4,5-dimethylphosphinine;2-diphenylphosphanylethyl(diphenyl)phosphane;nickel
SMILESCc1cpc(-c2cc(C)c(C)cp2)cc1C.[Ni].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.C14H16P2.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;1-9-5-13(15-7-11(9)3)14-6-10(2)12(4)8-16-14;/h1-20H,21-22H2;5-8H,1-4H3;
InChIKeyADLDKKBBYHGWNM-UHFFFAOYSA-N
XLogP11.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.35
LogP ≤ 511.00
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
CID 173374421
CID 10930139
CID 10930139
bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)
CID 15017629
chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 12000429
2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(1+));bis(triphenylphosphane);dichloride
CID 11981349
bis(acetonitrile);bis(copper(1+));bis(2-diphenylphosphanylethyl(diphenyl)phosphane);perchlorate
CID 10441227
pentakis(acetonitrile);bis(copper(1+));2-diphenylphosphanylethyl(diphenyl)phosphane;perchlorate
CID 10395690
bis(acetonitrile);bis(copper(1+));tris(2-diphenylphosphanylethyl(diphenyl)phosphane);diperchlorate
CID 11982236
bis(N,N-dimethyl-1-(2-methylphenyl)ethanamine);2-diphenylphosphanylethyl(diphenyl)phosphane;bis(palladium(2+));dichloride
CID 10418527
(2,5-dimethoxyphenyl)-[2-[(2,5-dimethoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane
CID 25059236
(2,5-dimethoxyphenyl)-[2-[(2,5-dimethoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane
CID 173003302

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylphosphinin-2-yl)-4,5-dimethylphosphinine;2-diphenylphosphanylethyl(diphenyl)phosphane;nickel?
The IUPAC name of 2-(4,5-dimethylphosphinin-2-yl)-4,5-dimethylphosphinine;2-diphenylphosphanylethyl(diphenyl)phosphane;nickel (CID 15836530) is 2-(4,5-dimethylphosphinin-2-yl)-4,5-dimethylphosphinine;2-diphenylphosphanylethyl(diphenyl)phosphane;nickel.
What is the SMILES notation for 2-(4,5-dimethylphosphinin-2-yl)-4,5-dimethylphosphinine;2-diphenylphosphanylethyl(diphenyl)phosphane;nickel?
The canonical SMILES for 2-(4,5-dimethylphosphinin-2-yl)-4,5-dimethylphosphinine;2-diphenylphosphanylethyl(diphenyl)phosphane;nickel is Cc1cpc(-c2cc(C)c(C)cp2)cc1C.[Ni].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(4,5-dimethylphosphinin-2-yl)-4,5-dimethylphosphinine;2-diphenylphosphanylethyl(diphenyl)phosphane;nickel?
The InChIKey is ADLDKKBBYHGWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24P2.C14H16P2.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;1-9-5-13(15-7-11(9)3)14-6-10(2)12(4)8-16-14;/h1-20H,21-22H2;5-8H,1-4H3;.
What are the key properties of 2-(4,5-dimethylphosphinin-2-yl)-4,5-dimethylphosphinine;2-diphenylphosphanylethyl(diphenyl)phosphane;nickel?
2-(4,5-dimethylphosphinin-2-yl)-4,5-dimethylphosphinine;2-diphenylphosphanylethyl(diphenyl)phosphane;nickel has a molecular weight of 703.35 g/mol, XLogP of 11.00, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylphosphinin-2-yl)-4,5-dimethylphosphinine;2-diphenylphosphanylethyl(diphenyl)phosphane;nickel is sourced from PubChem (CID 15836530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).