benzhydrylidenenickel;ditert-butyl(2-ditert-butylphosphanylethyl)phosphane

C31H50NiP2 — CID 11410157

IUPACbenzhydrylidenenickel;ditert-butyl(2-ditert-butylphosphanylethyl)phosphane
SMILESCC(C)(C)P(CCP(C(C)(C)C)C(C)(C)C)C(C)(C)C.[Ni]=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H40P2.C13H10.Ni/c1-15(2,3)19(16(4,5)6)13-14-20(17(7,8)9)18(10,11)12;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;/h13-14H2,1-12H3;1-10H;
InChIKeySSBIEUURQXRZQF-UHFFFAOYSA-N
MW543.38 g/mol
LogP9.95
Rot. Bonds5

About benzhydrylidenenickel;ditert-butyl(2-ditert-butylphosphanylethyl)phosphane

benzhydrylidenenickel;ditert-butyl(2-ditert-butylphosphanylethyl)phosphane (PubChem CID 11410157) has the molecular formula C31H50NiP2 and a molecular weight of 543.38 g/mol. Its IUPAC name is benzhydrylidenenickel;ditert-butyl(2-ditert-butylphosphanylethyl)phosphane.

Molecular Properties

Compound Namebenzhydrylidenenickel;ditert-butyl(2-ditert-butylphosphanylethyl)phosphane
PubChem CID11410157
Molecular FormulaC31H50NiP2
Molecular Weight543.38 g/mol
Exact Mass542.27
IUPAC Namebenzhydrylidenenickel;ditert-butyl(2-ditert-butylphosphanylethyl)phosphane
SMILESCC(C)(C)P(CCP(C(C)(C)C)C(C)(C)C)C(C)(C)C.[Ni]=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H40P2.C13H10.Ni/c1-15(2,3)19(16(4,5)6)13-14-20(17(7,8)9)18(10,11)12;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;/h13-14H2,1-12H3;1-10H;
InChIKeySSBIEUURQXRZQF-UHFFFAOYSA-N
XLogP9.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.38
LogP ≤ 59.95
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

N-(2-ditert-butylphosphanylethyl)-N-methylaniline;hydrochloride
CID 11500644
ditert-butyl(1,1-diphenylprop-1-en-2-yl)phosphane
CID 12010825
ditert-butyl(2-ditert-butylphosphanylethyl)phosphane;[2,6-di(propan-2-yl)phenyl]iminonickel
CID 11421495
1-ditert-butylphosphanyl-N-methyl-1-phenylmethanimine
CID 159340779
tert-butyl benzoate
CID 135038599
3-iodo-2,2-dimethyl-1-phenylpropan-1-imine
CID 155055549
2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane
CID 70599278
2,2-dimethylpropane;diphenylmethanone
CID 159191976
3-amino-3-hydroxy-1-phenylbutan-1-one
CID 141444107
ditert-butyl-[[2-(ditert-butylphosphanylmethyl)-3,6-diphenylphenyl]methyl]phosphane
CID 87464602
benzoic acid;bis(3,5-dimethylheptane-3,5-diol)
CID 175418434
benzoic acid;methanol
CID 67901482

Frequently Asked Questions

What is the IUPAC name of benzhydrylidenenickel;ditert-butyl(2-ditert-butylphosphanylethyl)phosphane?
The IUPAC name of benzhydrylidenenickel;ditert-butyl(2-ditert-butylphosphanylethyl)phosphane (CID 11410157) is benzhydrylidenenickel;ditert-butyl(2-ditert-butylphosphanylethyl)phosphane.
What is the SMILES notation for benzhydrylidenenickel;ditert-butyl(2-ditert-butylphosphanylethyl)phosphane?
The canonical SMILES for benzhydrylidenenickel;ditert-butyl(2-ditert-butylphosphanylethyl)phosphane is CC(C)(C)P(CCP(C(C)(C)C)C(C)(C)C)C(C)(C)C.[Ni]=C(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydrylidenenickel;ditert-butyl(2-ditert-butylphosphanylethyl)phosphane?
The InChIKey is SSBIEUURQXRZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40P2.C13H10.Ni/c1-15(2,3)19(16(4,5)6)13-14-20(17(7,8)9)18(10,11)12;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;/h13-14H2,1-12H3;1-10H;.
What are the key properties of benzhydrylidenenickel;ditert-butyl(2-ditert-butylphosphanylethyl)phosphane?
benzhydrylidenenickel;ditert-butyl(2-ditert-butylphosphanylethyl)phosphane has a molecular weight of 543.38 g/mol, XLogP of 9.95, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydrylidenenickel;ditert-butyl(2-ditert-butylphosphanylethyl)phosphane is sourced from PubChem (CID 11410157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).