nickel;tetrakis(triphenylphosphane)

C72H60Ni2P4 — CID 161328494

IUPACnickel;tetrakis(triphenylphosphane)
SMILES[Ni].[Ni].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.2Ni/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;;
InChIKeyVLCDNHYJKMXHFI-UHFFFAOYSA-N
MW1166.55 g/mol
LogP13.77
Rot. Bonds12

About nickel;tetrakis(triphenylphosphane)

nickel;tetrakis(triphenylphosphane) (PubChem CID 161328494) has the molecular formula C72H60Ni2P4 and a molecular weight of 1166.55 g/mol. Its IUPAC name is nickel;tetrakis(triphenylphosphane).

Molecular Properties

Compound Namenickel;tetrakis(triphenylphosphane)
PubChem CID161328494
Molecular FormulaC72H60Ni2P4
Molecular Weight1166.55 g/mol
Exact Mass1164.24
IUPAC Namenickel;tetrakis(triphenylphosphane)
SMILES[Ni].[Ni].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.2Ni/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;;
InChIKeyVLCDNHYJKMXHFI-UHFFFAOYSA-N
XLogP13.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001166.55
LogP ≤ 513.77
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

triphenylphosphane
CID 139056248
tris(triphenylphosphane);trihydrochloride
CID 173282987
tris(triphenylphosphane);hydrobromide
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palladium;bis(triphenylphosphane)
CID 10122028
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
triphenylphosphane;yttrium
CID 139917776
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
CID 87948921
CID 87948921
triphenylphosphane;octahydrochloride
CID 172751742

Frequently Asked Questions

What is the IUPAC name of nickel;tetrakis(triphenylphosphane)?
The IUPAC name of nickel;tetrakis(triphenylphosphane) (CID 161328494) is nickel;tetrakis(triphenylphosphane).
What is the SMILES notation for nickel;tetrakis(triphenylphosphane)?
The canonical SMILES for nickel;tetrakis(triphenylphosphane) is [Ni].[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 VLCDNHYJKMXHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H15P.2Ni/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 1166.55 g/mol, XLogP of 13.77, 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 161328494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).