(1,1-dichloro-1-diphenylphosphanylpropan-2-yl)-diphenylphosphane;nickel

C27H24Cl2NiP2 — CID 87282083

IUPAC(1,1-dichloro-1-diphenylphosphanylpropan-2-yl)-diphenylphosphane;nickel
SMILESCC(P(c1ccccc1)c1ccccc1)C(Cl)(Cl)P(c1ccccc1)c1ccccc1.[Ni]
InChIInChI=1S/C27H24Cl2P2.Ni/c1-22(30(23-14-6-2-7-15-23)24-16-8-3-9-17-24)27(28,29)31(25-18-10-4-11-19-25)26-20-12-5-13-21-26;/h2-22H,1H3;
InChIKeyWMQBDTKYWOKXJA-UHFFFAOYSA-N
MW540.04 g/mol
LogP6.77
Rot. Bonds7

About (1,1-dichloro-1-diphenylphosphanylpropan-2-yl)-diphenylphosphane;nickel

(1,1-dichloro-1-diphenylphosphanylpropan-2-yl)-diphenylphosphane;nickel (PubChem CID 87282083) has the molecular formula C27H24Cl2NiP2 and a molecular weight of 540.04 g/mol. Its IUPAC name is (1,1-dichloro-1-diphenylphosphanylpropan-2-yl)-diphenylphosphane;nickel.

Molecular Properties

Compound Name(1,1-dichloro-1-diphenylphosphanylpropan-2-yl)-diphenylphosphane;nickel
PubChem CID87282083
Molecular FormulaC27H24Cl2NiP2
Molecular Weight540.04 g/mol
Exact Mass538.01
IUPAC Name(1,1-dichloro-1-diphenylphosphanylpropan-2-yl)-diphenylphosphane;nickel
SMILESCC(P(c1ccccc1)c1ccccc1)C(Cl)(Cl)P(c1ccccc1)c1ccccc1.[Ni]
InChIInChI=1S/C27H24Cl2P2.Ni/c1-22(30(23-14-6-2-7-15-23)24-16-8-3-9-17-24)27(28,29)31(25-18-10-4-11-19-25)26-20-12-5-13-21-26;/h2-22H,1H3;
InChIKeyWMQBDTKYWOKXJA-UHFFFAOYSA-N
XLogP6.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.04
LogP ≤ 56.77
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

[3-(1-diphenylphosphanylethyl)-3,4-dimethylpentan-2-yl]-diphenylphosphane
CID 22672805
[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
dichlorocobalt;[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 11364946
dichloronickel;[(2R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 88642037
(4-diphenylphosphanyl-2-methylpentan-2-yl)-diphenylphosphane
CID 134285768
(1-chloro-1-diphenylphosphanylbutyl)-diphenylphosphane
CID 87672181
1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane;nickel
CID 87791528
1-diphenylphosphanylethanesulfonamide
CID 174898207
bis(3,3-dimethylbutan-2-yl)-phenylphosphane
CID 174333758
(2-bromophenyl)-phenyl-propan-2-ylphosphane
CID 62705964
1-[6-(1-diphenylphosphanylethyl)-2-pyridinyl]ethyl-diphenylphosphane;ethane
CID 159086200
bis([(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane);bis(iridium);tetraiodide
CID 11446268

Frequently Asked Questions

What is the IUPAC name of (1,1-dichloro-1-diphenylphosphanylpropan-2-yl)-diphenylphosphane;nickel?
The IUPAC name of (1,1-dichloro-1-diphenylphosphanylpropan-2-yl)-diphenylphosphane;nickel (CID 87282083) is (1,1-dichloro-1-diphenylphosphanylpropan-2-yl)-diphenylphosphane;nickel.
What is the SMILES notation for (1,1-dichloro-1-diphenylphosphanylpropan-2-yl)-diphenylphosphane;nickel?
The canonical SMILES for (1,1-dichloro-1-diphenylphosphanylpropan-2-yl)-diphenylphosphane;nickel is CC(P(c1ccccc1)c1ccccc1)C(Cl)(Cl)P(c1ccccc1)c1ccccc1.[Ni].
What is the InChIKey of (1,1-dichloro-1-diphenylphosphanylpropan-2-yl)-diphenylphosphane;nickel?
The InChIKey is WMQBDTKYWOKXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Cl2P2.Ni/c1-22(30(23-14-6-2-7-15-23)24-16-8-3-9-17-24)27(28,29)31(25-18-10-4-11-19-25)26-20-12-5-13-21-26;/h2-22H,1H3;.
What are the key properties of (1,1-dichloro-1-diphenylphosphanylpropan-2-yl)-diphenylphosphane;nickel?
(1,1-dichloro-1-diphenylphosphanylpropan-2-yl)-diphenylphosphane;nickel has a molecular weight of 540.04 g/mol, XLogP of 6.77, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dichloro-1-diphenylphosphanylpropan-2-yl)-diphenylphosphane;nickel is sourced from PubChem (CID 87282083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).