carbanide;1-N,2-N-diphenylacenaphthylene-1,2-diimine;nickel

C25H19N2Ni- — CID 59475428

IUPACcarbanide;1-N,2-N-diphenylacenaphthylene-1,2-diimine;nickel
SMILES[CH3-].[Ni].c1ccc(/N=C2C(=N\c3ccccc3)\c3cccc4cccc\2c34)cc1
InChIInChI=1S/C24H16N2.CH3.Ni/c1-3-11-18(12-4-1)25-23-20-15-7-9-17-10-8-16-21(22(17)20)24(23)26-19-13-5-2-6-14-19;;/h1-16H;1H3;/q;-1;/b25-23-,26-24+;;
InChIKeyANZJQUNOMYWTSN-NHBWHGFPSA-N
MW406.13 g/mol
LogP6.54
Rot. Bonds2

About carbanide;1-N,2-N-diphenylacenaphthylene-1,2-diimine;nickel

carbanide;1-N,2-N-diphenylacenaphthylene-1,2-diimine;nickel (PubChem CID 59475428) has the molecular formula C25H19N2Ni- and a molecular weight of 406.13 g/mol. Its IUPAC name is carbanide;1-N,2-N-diphenylacenaphthylene-1,2-diimine;nickel.

Molecular Properties

Compound Namecarbanide;1-N,2-N-diphenylacenaphthylene-1,2-diimine;nickel
PubChem CID59475428
Molecular FormulaC25H19N2Ni-
Molecular Weight406.13 g/mol
Exact Mass405.09
IUPAC Namecarbanide;1-N,2-N-diphenylacenaphthylene-1,2-diimine;nickel
SMILES[CH3-].[Ni].c1ccc(/N=C2C(=N\c3ccccc3)\c3cccc4cccc\2c34)cc1
InChIInChI=1S/C24H16N2.CH3.Ni/c1-3-11-18(12-4-1)25-23-20-15-7-9-17-10-8-16-21(22(17)20)24(23)26-19-13-5-2-6-14-19;;/h1-16H;1H3;/q;-1;/b25-23-,26-24+;;
InChIKeyANZJQUNOMYWTSN-NHBWHGFPSA-N
XLogP6.54
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.13
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-N,2-N-bis[4-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine
CID 10930458
tri(dmp-BIAN)Ga
CID 139168373
fluoranthene
CID 139203734
1-N-(4-chlorophenyl)-2-N-[2,6-di(propan-2-yl)phenyl]acenaphthylene-1,2-diimine
CID 90084908
1-N,2-N-bis(2-ethyl-6-methylphenyl)acenaphthylene-1,2-diimine;carbanide;nickel
CID 20789314
4-[[2-[2,6-di(propan-2-yl)phenyl]iminoacenaphthylen-1-ylidene]amino]-N,N-dimethylaniline
CID 90084884
2-N-[2,6-di(propan-2-yl)phenyl]-1-N-[4-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine
CID 90086005
fluoranthene;toluene
CID 173324369
1-N,2-N-bis(2,4,6-trimethylphenyl)acenaphthylene-1,2-diimine;bromonickel;carbanide
CID 20789300
2-N-[3,5-bis(trifluoromethyl)phenyl]-1-N-(3,5-dimethylphenyl)acenaphthylene-1,2-diimine
CID 24862441
1-N,2-N-bis(4-tert-butyl-2,6-dimethylphenyl)acenaphthylene-1,2-diimine
CID 20789308
1-N-[3,5-bis(trifluoromethyl)phenyl]-2-N-(2,6-dimethylphenyl)acenaphthylene-1,2-diimine
CID 102526185

Frequently Asked Questions

What is the IUPAC name of carbanide;1-N,2-N-diphenylacenaphthylene-1,2-diimine;nickel?
The IUPAC name of carbanide;1-N,2-N-diphenylacenaphthylene-1,2-diimine;nickel (CID 59475428) is carbanide;1-N,2-N-diphenylacenaphthylene-1,2-diimine;nickel.
What is the SMILES notation for carbanide;1-N,2-N-diphenylacenaphthylene-1,2-diimine;nickel?
The canonical SMILES for carbanide;1-N,2-N-diphenylacenaphthylene-1,2-diimine;nickel is [CH3-].[Ni].c1ccc(/N=C2C(=N\c3ccccc3)\c3cccc4cccc\2c34)cc1.
What is the InChIKey of carbanide;1-N,2-N-diphenylacenaphthylene-1,2-diimine;nickel?
The InChIKey is ANZJQUNOMYWTSN-NHBWHGFPSA-N. The full InChI is InChI=1S/C24H16N2.CH3.Ni/c1-3-11-18(12-4-1)25-23-20-15-7-9-17-10-8-16-21(22(17)20)24(23)26-19-13-5-2-6-14-19;;/h1-16H;1H3;/q;-1;/b25-23-,26-24+;;.
What are the key properties of carbanide;1-N,2-N-diphenylacenaphthylene-1,2-diimine;nickel?
carbanide;1-N,2-N-diphenylacenaphthylene-1,2-diimine;nickel has a molecular weight of 406.13 g/mol, XLogP of 6.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-N,2-N-diphenylacenaphthylene-1,2-diimine;nickel is sourced from PubChem (CID 59475428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).