hexakis(N-(3-hydroxyimino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine);nickel;silver

C60H96Ag3N12Ni3O12 — CID 135462655

IUPAChexakis(N-(3-hydroxyimino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine);nickel;silver
SMILESCC12CCC(C(=NO)C1=NO)C2(C)C.CC12CCC(C(=NO)C1=NO)C2(C)C.CC12CCC(C(=NO)C1=NO)C2(C)C.CC12CCC(C(=NO)C1=NO)C2(C)C.CC12CCC(C(=NO)C1=NO)C2(C)C.CC12CCC(C(=NO)C1=NO)C2(C)C.[Ag].[Ag].[Ag].[Ni].[Ni].[Ni]
InChIInChI=1S/6C10H16N2O2.3Ag.3Ni/c6*1-9(2)6-4-5-10(9,3)8(12-14)7(6)11-13;;;;;;/h6*6,13-14H,4-5H2,1-3H3;;;;;;
InChIKeyWDTMGBZRKKAKTH-UHFFFAOYSA-N
MW1677.18 g/mol
LogP12.60
Rot. Bonds

About hexakis(N-(3-hydroxyimino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine);nickel;silver

hexakis(N-(3-hydroxyimino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine);nickel;silver (PubChem CID 135462655) has the molecular formula C60H96Ag3N12Ni3O12 and a molecular weight of 1677.18 g/mol. Its IUPAC name is hexakis(N-(3-hydroxyimino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine);nickel;silver.

Molecular Properties

Compound Namehexakis(N-(3-hydroxyimino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine);nickel;silver
PubChem CID135462655
Molecular FormulaC60H96Ag3N12Ni3O12
Molecular Weight1677.18 g/mol
Exact Mass1671.25
IUPAC Namehexakis(N-(3-hydroxyimino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine);nickel;silver
SMILESCC12CCC(C(=NO)C1=NO)C2(C)C.CC12CCC(C(=NO)C1=NO)C2(C)C.CC12CCC(C(=NO)C1=NO)C2(C)C.CC12CCC(C(=NO)C1=NO)C2(C)C.CC12CCC(C(=NO)C1=NO)C2(C)C.CC12CCC(C(=NO)C1=NO)C2(C)C.[Ag].[Ag].[Ag].[Ni].[Ni].[Ni]
InChIInChI=1S/6C10H16N2O2.3Ag.3Ni/c6*1-9(2)6-4-5-10(9,3)8(12-14)7(6)11-13;;;;;;/h6*6,13-14H,4-5H2,1-3H3;;;;;;
InChIKeyWDTMGBZRKKAKTH-UHFFFAOYSA-N
XLogP12.60
TPSA391.08 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001677.18
LogP ≤ 512.60
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hexakis(N-(3-hydroxyimino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine);nickel;silver?
The IUPAC name of hexakis(N-(3-hydroxyimino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine);nickel;silver (CID 135462655) is hexakis(N-(3-hydroxyimino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine);nickel;silver.
What is the SMILES notation for hexakis(N-(3-hydroxyimino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine);nickel;silver?
The canonical SMILES for hexakis(N-(3-hydroxyimino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine);nickel;silver is CC12CCC(C(=NO)C1=NO)C2(C)C.CC12CCC(C(=NO)C1=NO)C2(C)C.CC12CCC(C(=NO)C1=NO)C2(C)C.CC12CCC(C(=NO)C1=NO)C2(C)C.CC12CCC(C(=NO)C1=NO)C2(C)C.CC12CCC(C(=NO)C1=NO)C2(C)C.[Ag].[Ag].[Ag].[Ni].[Ni].[Ni].
What is the InChIKey of hexakis(N-(3-hydroxyimino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine);nickel;silver?
The InChIKey is WDTMGBZRKKAKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/6C10H16N2O2.3Ag.3Ni/c6*1-9(2)6-4-5-10(9,3)8(12-14)7(6)11-13;;;;;;/h6*6,13-14H,4-5H2,1-3H3;;;;;;.
What are the key properties of hexakis(N-(3-hydroxyimino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine);nickel;silver?
hexakis(N-(3-hydroxyimino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine);nickel;silver has a molecular weight of 1677.18 g/mol, XLogP of 12.60, 0 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(N-(3-hydroxyimino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine);nickel;silver is sourced from PubChem (CID 135462655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).