nickel;tetrakis(tricyclohexyl phosphite)

C72H132NiO12P4 — CID 173453545

IUPACnickel;tetrakis(tricyclohexyl phosphite)
SMILESC1CCC(OP(OC2CCCCC2)OC2CCCCC2)CC1.C1CCC(OP(OC2CCCCC2)OC2CCCCC2)CC1.C1CCC(OP(OC2CCCCC2)OC2CCCCC2)CC1.C1CCC(OP(OC2CCCCC2)OC2CCCCC2)CC1.[Ni]
InChIInChI=1S/4C18H33O3P.Ni/c4*1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;/h4*16-18H,1-15H2;
InChIKeyQIDLJIDOVCQUNC-UHFFFAOYSA-N
MW1372.42 g/mol
LogP25.04
Rot. Bonds24

About nickel;tetrakis(tricyclohexyl phosphite)

nickel;tetrakis(tricyclohexyl phosphite) (PubChem CID 173453545) has the molecular formula C72H132NiO12P4 and a molecular weight of 1372.42 g/mol. Its IUPAC name is nickel;tetrakis(tricyclohexyl phosphite).

Molecular Properties

Compound Namenickel;tetrakis(tricyclohexyl phosphite)
PubChem CID173453545
Molecular FormulaC72H132NiO12P4
Molecular Weight1372.42 g/mol
Exact Mass1370.80
IUPAC Namenickel;tetrakis(tricyclohexyl phosphite)
SMILESC1CCC(OP(OC2CCCCC2)OC2CCCCC2)CC1.C1CCC(OP(OC2CCCCC2)OC2CCCCC2)CC1.C1CCC(OP(OC2CCCCC2)OC2CCCCC2)CC1.C1CCC(OP(OC2CCCCC2)OC2CCCCC2)CC1.[Ni]
InChIInChI=1S/4C18H33O3P.Ni/c4*1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;/h4*16-18H,1-15H2;
InChIKeyQIDLJIDOVCQUNC-UHFFFAOYSA-N
XLogP25.04
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001372.42
LogP ≤ 525.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

tricyclododecyl phosphite
CID 126731698
tricyclooctyl phosphite
CID 67250015
benzene;tricyclohexyl phosphite
CID 70561522
tetrakis(2-chloroethyl dicyclohexyl phosphite);nickel
CID 173453554
dichloro(cyclododecyloxy)phosphane
CID 54169601
antimony(3+);tris(dicyclohexyl phosphite)
CID 23464194
cyclohexyl phosphite;ethene
CID 22165796
1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane
CID 140552812
cyclobutyloxycyclohexane
CID 89332762
cyclohexyloxy(dimethyl)silane
CID 575341
methoxycyclooctane
CID 551195
silyloxycyclohexane
CID 19892694

Frequently Asked Questions

What is the IUPAC name of nickel;tetrakis(tricyclohexyl phosphite)?
The IUPAC name of nickel;tetrakis(tricyclohexyl phosphite) (CID 173453545) is nickel;tetrakis(tricyclohexyl phosphite).
What is the SMILES notation for nickel;tetrakis(tricyclohexyl phosphite)?
The canonical SMILES for nickel;tetrakis(tricyclohexyl phosphite) is C1CCC(OP(OC2CCCCC2)OC2CCCCC2)CC1.C1CCC(OP(OC2CCCCC2)OC2CCCCC2)CC1.C1CCC(OP(OC2CCCCC2)OC2CCCCC2)CC1.C1CCC(OP(OC2CCCCC2)OC2CCCCC2)CC1.[Ni].
What is the InChIKey of nickel;tetrakis(tricyclohexyl phosphite)?
The InChIKey is QIDLJIDOVCQUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H33O3P.Ni/c4*1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;/h4*16-18H,1-15H2;.
What are the key properties of nickel;tetrakis(tricyclohexyl phosphite)?
nickel;tetrakis(tricyclohexyl phosphite) has a molecular weight of 1372.42 g/mol, XLogP of 25.04, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;tetrakis(tricyclohexyl phosphite) is sourced from PubChem (CID 173453545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).