nickel;tetrakis(triphenylphosphane)

C72H60NiP4 — CID 11979963

IUPACnickel;tetrakis(triphenylphosphane)
SMILES[Ni].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.Ni/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h4*1-15H;
InChIKeyKFBKRCXOTTUAFS-UHFFFAOYSA-N
MW1107.86 g/mol
LogP13.78
Rot. Bonds12

About nickel;tetrakis(triphenylphosphane)

nickel;tetrakis(triphenylphosphane) (PubChem CID 11979963) has the molecular formula C72H60NiP4 and a molecular weight of 1107.86 g/mol. Its IUPAC name is nickel;tetrakis(triphenylphosphane).

Molecular Properties

Compound Namenickel;tetrakis(triphenylphosphane)
PubChem CID11979963
Molecular FormulaC72H60NiP4
Molecular Weight1107.86 g/mol
Exact Mass1106.30
IUPAC Namenickel;tetrakis(triphenylphosphane)
SMILES[Ni].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.Ni/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h4*1-15H;
InChIKeyKFBKRCXOTTUAFS-UHFFFAOYSA-N
XLogP13.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001107.86
LogP ≤ 513.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of nickel;tetrakis(triphenylphosphane)?
The IUPAC name of nickel;tetrakis(triphenylphosphane) (CID 11979963) is nickel;tetrakis(triphenylphosphane).
What is the SMILES notation for nickel;tetrakis(triphenylphosphane)?
The canonical SMILES for nickel;tetrakis(triphenylphosphane) is [Ni].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of nickel;tetrakis(triphenylphosphane)?
The InChIKey is KFBKRCXOTTUAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H15P.Ni/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h4*1-15H;.
What are the key properties of nickel;tetrakis(triphenylphosphane)?
nickel;tetrakis(triphenylphosphane) has a molecular weight of 1107.86 g/mol, XLogP of 13.78, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;tetrakis(triphenylphosphane) is sourced from PubChem (CID 11979963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).