nickel;tetrakis(tris(4-methoxyphenyl)phosphane)

C84H84NiO12P4 — CID 161091437

IUPACnickel;tetrakis(tris(4-methoxyphenyl)phosphane)
SMILESCOc1ccc(P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.COc1ccc(P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.COc1ccc(P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.COc1ccc(P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.[Ni]
InChIInChI=1S/4C21H21O3P.Ni/c4*1-22-16-4-10-19(11-5-16)25(20-12-6-17(23-2)7-13-20)21-14-8-18(24-3)9-15-21;/h4*4-15H,1-3H3;
InChIKeyUHFPFGNWNOZQDR-UHFFFAOYSA-N
MW1468.17 g/mol
LogP13.88
Rot. Bonds24

About nickel;tetrakis(tris(4-methoxyphenyl)phosphane)

nickel;tetrakis(tris(4-methoxyphenyl)phosphane) (PubChem CID 161091437) has the molecular formula C84H84NiO12P4 and a molecular weight of 1468.17 g/mol. Its IUPAC name is nickel;tetrakis(tris(4-methoxyphenyl)phosphane).

Molecular Properties

Compound Namenickel;tetrakis(tris(4-methoxyphenyl)phosphane)
PubChem CID161091437
Molecular FormulaC84H84NiO12P4
Molecular Weight1468.17 g/mol
Exact Mass1466.43
IUPAC Namenickel;tetrakis(tris(4-methoxyphenyl)phosphane)
SMILESCOc1ccc(P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.COc1ccc(P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.COc1ccc(P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.COc1ccc(P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.[Ni]
InChIInChI=1S/4C21H21O3P.Ni/c4*1-22-16-4-10-19(11-5-16)25(20-12-6-17(23-2)7-13-20)21-14-8-18(24-3)9-15-21;/h4*4-15H,1-3H3;
InChIKeyUHFPFGNWNOZQDR-UHFFFAOYSA-N
XLogP13.88
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001468.17
LogP ≤ 513.88
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

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[4-[bis(4-methoxyphenyl)methyl]phenyl]-diphenylphosphane
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[1-[2-bis(4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxyphenyl)phosphane
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Frequently Asked Questions

What is the IUPAC name of nickel;tetrakis(tris(4-methoxyphenyl)phosphane)?
The IUPAC name of nickel;tetrakis(tris(4-methoxyphenyl)phosphane) (CID 161091437) is nickel;tetrakis(tris(4-methoxyphenyl)phosphane).
What is the SMILES notation for nickel;tetrakis(tris(4-methoxyphenyl)phosphane)?
The canonical SMILES for nickel;tetrakis(tris(4-methoxyphenyl)phosphane) is COc1ccc(P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.COc1ccc(P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.COc1ccc(P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.COc1ccc(P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.[Ni].
What is the InChIKey of nickel;tetrakis(tris(4-methoxyphenyl)phosphane)?
The InChIKey is UHFPFGNWNOZQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/4C21H21O3P.Ni/c4*1-22-16-4-10-19(11-5-16)25(20-12-6-17(23-2)7-13-20)21-14-8-18(24-3)9-15-21;/h4*4-15H,1-3H3;.
What are the key properties of nickel;tetrakis(tris(4-methoxyphenyl)phosphane)?
nickel;tetrakis(tris(4-methoxyphenyl)phosphane) has a molecular weight of 1468.17 g/mol, XLogP of 13.88, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;tetrakis(tris(4-methoxyphenyl)phosphane) is sourced from PubChem (CID 161091437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).