1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane;nickel

C27H25NiP2- — CID 87791528

IUPAC1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane;nickel
SMILESCC([CH-]P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.[Ni]
InChIInChI=1S/C27H25P2.Ni/c1-23(29(26-18-10-4-11-19-26)27-20-12-5-13-21-27)22-28(24-14-6-2-7-15-24)25-16-8-3-9-17-25;/h2-23H,1H3;/q-1;
InChIKeyPHHQGRRILNJQFF-UHFFFAOYSA-N
MW470.14 g/mol
LogP5.80
Rot. Bonds7

About 1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane;nickel

1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane;nickel (PubChem CID 87791528) has the molecular formula C27H25NiP2- and a molecular weight of 470.14 g/mol. Its IUPAC name is 1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane;nickel.

Molecular Properties

Compound Name1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane;nickel
PubChem CID87791528
Molecular FormulaC27H25NiP2-
Molecular Weight470.14 g/mol
Exact Mass469.08
IUPAC Name1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane;nickel
SMILESCC([CH-]P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.[Ni]
InChIInChI=1S/C27H25P2.Ni/c1-23(29(26-18-10-4-11-19-26)27-20-12-5-13-21-27)22-28(24-14-6-2-7-15-24)25-16-8-3-9-17-25;/h2-23H,1H3;/q-1;
InChIKeyPHHQGRRILNJQFF-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.14
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
N,N'-bis(1-diphenylphosphanylethyl)ethane-1,2-diamine
CID 87094669
dichlorocobalt;[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 11364946
dichloronickel;[(2R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 88642037
(2-bromophenyl)-phenyl-propan-2-ylphosphane
CID 62705964
2-diphenylphosphanylpropanoic acid
CID 14902743
bis([(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane);bis(iridium);tetraiodide
CID 11446268
(5-diphenylphosphanyl-3,4-diphenylhexan-2-yl)-diphenylphosphane
CID 23403284
(1,1-dichloro-1-diphenylphosphanylpropan-2-yl)-diphenylphosphane;nickel
CID 87282083
N-benzyl-1-diphenylphosphanyl-N'-propan-2-ylmethanediamine
CID 153313858
[(1S)-1-[3-[(1S)-1-diphenylphosphanylethyl]phenyl]ethyl]-diphenylphosphane
CID 46216943
[3-(1-diphenylphosphanylethyl)-3,4-dimethylpentan-2-yl]-diphenylphosphane
CID 22672805

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane;nickel?
The IUPAC name of 1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane;nickel (CID 87791528) is 1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane;nickel.
What is the SMILES notation for 1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane;nickel?
The canonical SMILES for 1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane;nickel is CC([CH-]P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.[Ni].
What is the InChIKey of 1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane;nickel?
The InChIKey is PHHQGRRILNJQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25P2.Ni/c1-23(29(26-18-10-4-11-19-26)27-20-12-5-13-21-27)22-28(24-14-6-2-7-15-24)25-16-8-3-9-17-25;/h2-23H,1H3;/q-1;.
What are the key properties of 1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane;nickel?
1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane;nickel has a molecular weight of 470.14 g/mol, XLogP of 5.80, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane;nickel is sourced from PubChem (CID 87791528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).