dichloronickel;1,1-diphenylpropylphosphane

C15H17Cl2NiP — CID 174835679

IUPACdichloronickel;1,1-diphenylpropylphosphane
SMILESCCC(P)(c1ccccc1)c1ccccc1.Cl[Ni]Cl
InChIInChI=1S/C15H17P.2ClH.Ni/c1-2-15(16,13-9-5-3-6-10-13)14-11-7-4-8-12-14;;;/h3-12H,2,16H2,1H3;2*1H;/q;;;+2/p-2
InChIKeySGZPMDDSWZJHEC-UHFFFAOYSA-L
MW357.87 g/mol
LogP5.59
Rot. Bonds3

About dichloronickel;1,1-diphenylpropylphosphane

dichloronickel;1,1-diphenylpropylphosphane (PubChem CID 174835679) has the molecular formula C15H17Cl2NiP and a molecular weight of 357.87 g/mol. Its IUPAC name is dichloronickel;1,1-diphenylpropylphosphane.

Molecular Properties

Compound Namedichloronickel;1,1-diphenylpropylphosphane
PubChem CID174835679
Molecular FormulaC15H17Cl2NiP
Molecular Weight357.87 g/mol
Exact Mass355.98
IUPAC Namedichloronickel;1,1-diphenylpropylphosphane
SMILESCCC(P)(c1ccccc1)c1ccccc1.Cl[Ni]Cl
InChIInChI=1S/C15H17P.2ClH.Ni/c1-2-15(16,13-9-5-3-6-10-13)14-11-7-4-8-12-14;;;/h3-12H,2,16H2,1H3;2*1H;/q;;;+2/p-2
InChIKeySGZPMDDSWZJHEC-UHFFFAOYSA-L
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.87
LogP ≤ 55.59
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

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CID 65439114
2-chlorobutan-2-ylbenzene;ethane
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[diphenyl(silyl)methyl]phosphane
CID 173204012
3-phenylpentan-3-ylstibane
CID 173061066
ethane;3-methylpentan-3-ylbenzene
CID 90745317
[diphenyl(phosphanyl)methyl]phosphane
CID 23002363
(1-diethylalumanyl-1-phenylethyl)phosphane
CID 141310916
(2S)-3-ethyl-3-phenylpentan-2-amine
CID 64712581
4,4-dimethyl-3-phenylhexane-3-thiol
CID 163513171
3-phenylpentan-3-amine;2-phenylpropan-2-amine
CID 67930723
3,3,4,5,5-pentamethylheptan-4-ylbenzene
CID 144815892
2-chloro-2-phenylbutanoyl chloride
CID 174602040

Frequently Asked Questions

What is the IUPAC name of dichloronickel;1,1-diphenylpropylphosphane?
The IUPAC name of dichloronickel;1,1-diphenylpropylphosphane (CID 174835679) is dichloronickel;1,1-diphenylpropylphosphane.
What is the SMILES notation for dichloronickel;1,1-diphenylpropylphosphane?
The canonical SMILES for dichloronickel;1,1-diphenylpropylphosphane is CCC(P)(c1ccccc1)c1ccccc1.Cl[Ni]Cl.
What is the InChIKey of dichloronickel;1,1-diphenylpropylphosphane?
The InChIKey is SGZPMDDSWZJHEC-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H17P.2ClH.Ni/c1-2-15(16,13-9-5-3-6-10-13)14-11-7-4-8-12-14;;;/h3-12H,2,16H2,1H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichloronickel;1,1-diphenylpropylphosphane?
dichloronickel;1,1-diphenylpropylphosphane has a molecular weight of 357.87 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloronickel;1,1-diphenylpropylphosphane is sourced from PubChem (CID 174835679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).