dichloronickel;[(2R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane

C28H28Cl2NiP2 — CID 88642037

IUPACdichloronickel;[(2R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
SMILESCC([C@@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.Cl[Ni]Cl
InChIInChI=1S/C28H28P2.2ClH.Ni/c1-23(29(25-15-7-3-8-16-25)26-17-9-4-10-18-26)24(2)30(27-19-11-5-12-20-27)28-21-13-6-14-22-28;;;/h3-24H,1-2H3;2*1H;/q;;;+2/p-2/t23-,24?;;;/m1.../s1
InChIKeyPZCCCEUFHJBUQZ-HKWGWNRXSA-L
MW556.08 g/mol
LogP7.41
Rot. Bonds7

About dichloronickel;[(2R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane

dichloronickel;[(2R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane (PubChem CID 88642037) has the molecular formula C28H28Cl2NiP2 and a molecular weight of 556.08 g/mol. Its IUPAC name is dichloronickel;[(2R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane.

Molecular Properties

Compound Namedichloronickel;[(2R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
PubChem CID88642037
Molecular FormulaC28H28Cl2NiP2
Molecular Weight556.08 g/mol
Exact Mass554.04
IUPAC Namedichloronickel;[(2R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
SMILESCC([C@@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.Cl[Ni]Cl
InChIInChI=1S/C28H28P2.2ClH.Ni/c1-23(29(25-15-7-3-8-16-25)26-17-9-4-10-18-26)24(2)30(27-19-11-5-12-20-27)28-21-13-6-14-22-28;;;/h3-24H,1-2H3;2*1H;/q;;;+2/p-2/t23-,24?;;;/m1.../s1
InChIKeyPZCCCEUFHJBUQZ-HKWGWNRXSA-L
XLogP7.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.08
LogP ≤ 57.41
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

[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
dichlorocobalt;[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 11364946
[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane;perchloric acid
CID 157197729
(5-diphenylphosphanyl-3,4-diphenylhexan-2-yl)-diphenylphosphane
CID 23403284
dichloronickel;triphenylphosphane
CID 12533274
disodium;3-[phenyl-[3-[phenyl-(3-sulfonatophenyl)phosphanyl]butan-2-yl]phosphanyl]benzenesulfonate
CID 14647533
bis(benzonitrile);[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane;bis(hexafluoroantimony(1-));palladium(2+)
CID 16688910
(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
CID 73212099
CID 73212099
chloro-phenyl-propan-2-ylphosphane
CID 10867074

Frequently Asked Questions

What is the IUPAC name of dichloronickel;[(2R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane?
The IUPAC name of dichloronickel;[(2R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane (CID 88642037) is dichloronickel;[(2R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane.
What is the SMILES notation for dichloronickel;[(2R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane?
The canonical SMILES for dichloronickel;[(2R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane is CC([C@@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.Cl[Ni]Cl.
What is the InChIKey of dichloronickel;[(2R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane?
The InChIKey is PZCCCEUFHJBUQZ-HKWGWNRXSA-L. The full InChI is InChI=1S/C28H28P2.2ClH.Ni/c1-23(29(25-15-7-3-8-16-25)26-17-9-4-10-18-26)24(2)30(27-19-11-5-12-20-27)28-21-13-6-14-22-28;;;/h3-24H,1-2H3;2*1H;/q;;;+2/p-2/t23-,24?;;;/m1.../s1.
What are the key properties of dichloronickel;[(2R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane?
dichloronickel;[(2R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane has a molecular weight of 556.08 g/mol, XLogP of 7.41, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloronickel;[(2R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane is sourced from PubChem (CID 88642037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).