1,1'-biphenyl;chlorophosphane;nickel;propane

C15H20ClNiP — CID 173340359

IUPAC1,1'-biphenyl;chlorophosphane;nickel;propane
SMILESCCC.PCl.[Ni].c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C3H8.ClH2P.Ni/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-2;1-2;/h1-10H;3H2,1-2H3;2H2;
InChIKeyBCQAMYKQYCCVFM-UHFFFAOYSA-N
MW325.45 g/mol
LogP5.78
Rot. Bonds1

About 1,1'-biphenyl;chlorophosphane;nickel;propane

1,1'-biphenyl;chlorophosphane;nickel;propane (PubChem CID 173340359) has the molecular formula C15H20ClNiP and a molecular weight of 325.45 g/mol. Its IUPAC name is 1,1'-biphenyl;chlorophosphane;nickel;propane.

Molecular Properties

Compound Name1,1'-biphenyl;chlorophosphane;nickel;propane
PubChem CID173340359
Molecular FormulaC15H20ClNiP
Molecular Weight325.45 g/mol
Exact Mass324.03
IUPAC Name1,1'-biphenyl;chlorophosphane;nickel;propane
SMILESCCC.PCl.[Ni].c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C3H8.ClH2P.Ni/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-2;1-2;/h1-10H;3H2,1-2H3;2H2;
InChIKeyBCQAMYKQYCCVFM-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1'-biphenyl;chlorophosphane;nickel;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1'-biphenyl;methanol;propane
CID 91033003
azane;1,1'-biphenyl;butane
CID 155168826
benzene;1,1'-biphenyl;ethane
CID 158550617
beryllium;1,1'-biphenyl;hydride
CID 173156439
benzene;tris(1,1'-biphenyl)
CID 162155747
bis(1,1'-biphenyl);ethane;phenol;propane
CID 159973913
1,1'-biphenyl;hexadecane
CID 173308514
benzene;bis(1,1'-biphenyl);ethane;octakis(2-methylpropane);naphthalene;propane
CID 158347647
1,1'-biphenyl;ethane;hydrobromide
CID 90342014
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
benzene;1,1'-biphenyl;ethane;methane
CID 161215689
CID 162140615
CID 162140615

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;chlorophosphane;nickel;propane?
The IUPAC name of 1,1'-biphenyl;chlorophosphane;nickel;propane (CID 173340359) is 1,1'-biphenyl;chlorophosphane;nickel;propane.
What is the SMILES notation for 1,1'-biphenyl;chlorophosphane;nickel;propane?
The canonical SMILES for 1,1'-biphenyl;chlorophosphane;nickel;propane is CCC.PCl.[Ni].c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;chlorophosphane;nickel;propane?
The InChIKey is BCQAMYKQYCCVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C3H8.ClH2P.Ni/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-2;1-2;/h1-10H;3H2,1-2H3;2H2;.
What are the key properties of 1,1'-biphenyl;chlorophosphane;nickel;propane?
1,1'-biphenyl;chlorophosphane;nickel;propane has a molecular weight of 325.45 g/mol, XLogP of 5.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;chlorophosphane;nickel;propane is sourced from PubChem (CID 173340359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).