(2,2-dichloro-3-diphenylphosphanylpropyl)-diphenylphosphane;nickel(2+)

C27H24Cl2NiP2+2 — CID 131716311

IUPAC(2,2-dichloro-3-diphenylphosphanylpropyl)-diphenylphosphane;nickel(2+)
SMILESClC(Cl)(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1.[Ni+2]
InChIInChI=1S/C27H24Cl2P2.Ni/c28-27(29,21-30(23-13-5-1-6-14-23)24-15-7-2-8-16-24)22-31(25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h1-20H,21-22H2;/q;+2
InChIKeyGIFASXCPIBNWQA-UHFFFAOYSA-N
MW540.04 g/mol
LogP6.42
Rot. Bonds8

About (2,2-dichloro-3-diphenylphosphanylpropyl)-diphenylphosphane;nickel(2+)

(2,2-dichloro-3-diphenylphosphanylpropyl)-diphenylphosphane;nickel(2+) (PubChem CID 131716311) has the molecular formula C27H24Cl2NiP2+2 and a molecular weight of 540.04 g/mol. Its IUPAC name is (2,2-dichloro-3-diphenylphosphanylpropyl)-diphenylphosphane;nickel(2+).

Molecular Properties

Compound Name(2,2-dichloro-3-diphenylphosphanylpropyl)-diphenylphosphane;nickel(2+)
PubChem CID131716311
Molecular FormulaC27H24Cl2NiP2+2
Molecular Weight540.04 g/mol
Exact Mass538.01
IUPAC Name(2,2-dichloro-3-diphenylphosphanylpropyl)-diphenylphosphane;nickel(2+)
SMILESClC(Cl)(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1.[Ni+2]
InChIInChI=1S/C27H24Cl2P2.Ni/c28-27(29,21-30(23-13-5-1-6-14-23)24-15-7-2-8-16-24)22-31(25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h1-20H,21-22H2;/q;+2
InChIKeyGIFASXCPIBNWQA-UHFFFAOYSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.04
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2,2-dichloro-3-diphenylphosphanylpropyl)-diphenylphosphane;palladium
CID 175711479
[2-(diphenylphosphanylmethyl)-2-ethylbutyl]-diphenylphosphane
CID 22052782
(3-diphenylphosphanyl-2,2-dimethylpropyl)-diphenylphosphane;methane
CID 159058846
[2,2-bis(diphenylphosphanylmethyl)-3,3-dimethylbutyl]-diphenylphosphane
CID 59318614
1,2-bis(diphenylphosphanyl)ethane-1,1-dithiol
CID 88810681
(1,1-dibromo-2-diphenylphosphanylethyl)-diphenylphosphane
CID 21297174
tris(diphenylphosphanylmethyl)azanium
CID 132563502
chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 12000429
diphenylphosphanylmethyl(diphenyl)phosphane;rhenium;trichloride;hydroxide
CID 71678326
2,2-dimethylpropyl(diphenyl)phosphane;formaldehyde;rhodium
CID 88689211
carbon monoxide;chromium;[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane
CID 134898996
diphenylphosphanylmethyl(diphenyl)phosphane;sulfane
CID 18991635

Frequently Asked Questions

What is the IUPAC name of (2,2-dichloro-3-diphenylphosphanylpropyl)-diphenylphosphane;nickel(2+)?
The IUPAC name of (2,2-dichloro-3-diphenylphosphanylpropyl)-diphenylphosphane;nickel(2+) (CID 131716311) is (2,2-dichloro-3-diphenylphosphanylpropyl)-diphenylphosphane;nickel(2+).
What is the SMILES notation for (2,2-dichloro-3-diphenylphosphanylpropyl)-diphenylphosphane;nickel(2+)?
The canonical SMILES for (2,2-dichloro-3-diphenylphosphanylpropyl)-diphenylphosphane;nickel(2+) is ClC(Cl)(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1.[Ni+2].
What is the InChIKey of (2,2-dichloro-3-diphenylphosphanylpropyl)-diphenylphosphane;nickel(2+)?
The InChIKey is GIFASXCPIBNWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Cl2P2.Ni/c28-27(29,21-30(23-13-5-1-6-14-23)24-15-7-2-8-16-24)22-31(25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h1-20H,21-22H2;/q;+2.
What are the key properties of (2,2-dichloro-3-diphenylphosphanylpropyl)-diphenylphosphane;nickel(2+)?
(2,2-dichloro-3-diphenylphosphanylpropyl)-diphenylphosphane;nickel(2+) has a molecular weight of 540.04 g/mol, XLogP of 6.42, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dichloro-3-diphenylphosphanylpropyl)-diphenylphosphane;nickel(2+) is sourced from PubChem (CID 131716311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).