tetrakis(2,6-diphenylphenolate);bis(nickel(2+));tetrakis(pyridine)

C92H72N4Ni2O4 — CID 139170299

IUPACtetrakis(2,6-diphenylphenolate);bis(nickel(2+));tetrakis(pyridine)
SMILES[Ni+2].[Ni+2].[O-]c1c(-c2ccccc2)cccc1-c1ccccc1.[O-]c1c(-c2ccccc2)cccc1-c1ccccc1.[O-]c1c(-c2ccccc2)cccc1-c1ccccc1.[O-]c1c(-c2ccccc2)cccc1-c1ccccc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/4C18H14O.4C5H5N.2Ni/c4*19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;4*1-2-4-6-5-3-1;;/h4*1-13,19H;4*1-5H;;/q;;;;;;;;2*+2/p-4
InChIKeyDEVICQIQCQJCGY-UHFFFAOYSA-J
MW1415.00 g/mol
LogP20.70
Rot. Bonds8

About tetrakis(2,6-diphenylphenolate);bis(nickel(2+));tetrakis(pyridine)

tetrakis(2,6-diphenylphenolate);bis(nickel(2+));tetrakis(pyridine) (PubChem CID 139170299) has the molecular formula C92H72N4Ni2O4 and a molecular weight of 1415.00 g/mol. Its IUPAC name is tetrakis(2,6-diphenylphenolate);bis(nickel(2+));tetrakis(pyridine).

Molecular Properties

Compound Nametetrakis(2,6-diphenylphenolate);bis(nickel(2+));tetrakis(pyridine)
PubChem CID139170299
Molecular FormulaC92H72N4Ni2O4
Molecular Weight1415.00 g/mol
Exact Mass1412.43
IUPAC Nametetrakis(2,6-diphenylphenolate);bis(nickel(2+));tetrakis(pyridine)
SMILES[Ni+2].[Ni+2].[O-]c1c(-c2ccccc2)cccc1-c1ccccc1.[O-]c1c(-c2ccccc2)cccc1-c1ccccc1.[O-]c1c(-c2ccccc2)cccc1-c1ccccc1.[O-]c1c(-c2ccccc2)cccc1-c1ccccc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/4C18H14O.4C5H5N.2Ni/c4*19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;4*1-2-4-6-5-3-1;;/h4*1-13,19H;4*1-5H;;/q;;;;;;;;2*+2/p-4
InChIKeyDEVICQIQCQJCGY-UHFFFAOYSA-J
XLogP20.70
TPSA143.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001415.00
LogP ≤ 520.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tetrakis(2,6-diphenylphenolate);bis(nickel(2+));tetrakis(pyridine)?
The IUPAC name of tetrakis(2,6-diphenylphenolate);bis(nickel(2+));tetrakis(pyridine) (CID 139170299) is tetrakis(2,6-diphenylphenolate);bis(nickel(2+));tetrakis(pyridine).
What is the SMILES notation for tetrakis(2,6-diphenylphenolate);bis(nickel(2+));tetrakis(pyridine)?
The canonical SMILES for tetrakis(2,6-diphenylphenolate);bis(nickel(2+));tetrakis(pyridine) is [Ni+2].[Ni+2].[O-]c1c(-c2ccccc2)cccc1-c1ccccc1.[O-]c1c(-c2ccccc2)cccc1-c1ccccc1.[O-]c1c(-c2ccccc2)cccc1-c1ccccc1.[O-]c1c(-c2ccccc2)cccc1-c1ccccc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of tetrakis(2,6-diphenylphenolate);bis(nickel(2+));tetrakis(pyridine)?
The InChIKey is DEVICQIQCQJCGY-UHFFFAOYSA-J. The full InChI is InChI=1S/4C18H14O.4C5H5N.2Ni/c4*19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;4*1-2-4-6-5-3-1;;/h4*1-13,19H;4*1-5H;;/q;;;;;;;;2*+2/p-4.
What are the key properties of tetrakis(2,6-diphenylphenolate);bis(nickel(2+));tetrakis(pyridine)?
tetrakis(2,6-diphenylphenolate);bis(nickel(2+));tetrakis(pyridine) has a molecular weight of 1415.00 g/mol, XLogP of 20.70, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2,6-diphenylphenolate);bis(nickel(2+));tetrakis(pyridine) is sourced from PubChem (CID 139170299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).