carbanide;2-N-(2-fluorophenyl)-1-N-[2-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine;nickel

C26H17F4N2Ni- — CID 59475444

IUPACcarbanide;2-N-(2-fluorophenyl)-1-N-[2-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine;nickel
SMILESFc1ccccc1/N=C1C(=N\c2ccccc2C(F)(F)F)\c2cccc3cccc\1c23.[CH3-].[Ni]
InChIInChI=1S/C25H14F4N2.CH3.Ni/c26-19-12-2-4-14-21(19)31-24-17-10-6-8-15-7-5-9-16(22(15)17)23(24)30-20-13-3-1-11-18(20)25(27,28)29;;/h1-14H;1H3;/q;-1;/b30-23+,31-24-;;
InChIKeyMTDNRSMXEIAODH-ZVZHGUGSSA-N
MW492.12 g/mol
LogP7.70
Rot. Bonds2

About carbanide;2-N-(2-fluorophenyl)-1-N-[2-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine;nickel

carbanide;2-N-(2-fluorophenyl)-1-N-[2-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine;nickel (PubChem CID 59475444) has the molecular formula C26H17F4N2Ni- and a molecular weight of 492.12 g/mol. Its IUPAC name is carbanide;2-N-(2-fluorophenyl)-1-N-[2-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine;nickel.

Molecular Properties

Compound Namecarbanide;2-N-(2-fluorophenyl)-1-N-[2-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine;nickel
PubChem CID59475444
Molecular FormulaC26H17F4N2Ni-
Molecular Weight492.12 g/mol
Exact Mass491.07
IUPAC Namecarbanide;2-N-(2-fluorophenyl)-1-N-[2-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine;nickel
SMILESFc1ccccc1/N=C1C(=N\c2ccccc2C(F)(F)F)\c2cccc3cccc\1c23.[CH3-].[Ni]
InChIInChI=1S/C25H14F4N2.CH3.Ni/c26-19-12-2-4-14-21(19)31-24-17-10-6-8-15-7-5-9-16(22(15)17)23(24)30-20-13-3-1-11-18(20)25(27,28)29;;/h1-14H;1H3;/q;-1;/b30-23+,31-24-;;
InChIKeyMTDNRSMXEIAODH-ZVZHGUGSSA-N
XLogP7.70
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.12
LogP ≤ 57.70
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'}

Analyze carbanide;2-N-(2-fluorophenyl)-1-N-[2-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine;nickel with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbanide;2-N-(2-fluorophenyl)-1-N-[2-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine;nickel?
The IUPAC name of carbanide;2-N-(2-fluorophenyl)-1-N-[2-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine;nickel (CID 59475444) is carbanide;2-N-(2-fluorophenyl)-1-N-[2-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine;nickel.
What is the SMILES notation for carbanide;2-N-(2-fluorophenyl)-1-N-[2-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine;nickel?
The canonical SMILES for carbanide;2-N-(2-fluorophenyl)-1-N-[2-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine;nickel is Fc1ccccc1/N=C1C(=N\c2ccccc2C(F)(F)F)\c2cccc3cccc\1c23.[CH3-].[Ni].
What is the InChIKey of carbanide;2-N-(2-fluorophenyl)-1-N-[2-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine;nickel?
The InChIKey is MTDNRSMXEIAODH-ZVZHGUGSSA-N. The full InChI is InChI=1S/C25H14F4N2.CH3.Ni/c26-19-12-2-4-14-21(19)31-24-17-10-6-8-15-7-5-9-16(22(15)17)23(24)30-20-13-3-1-11-18(20)25(27,28)29;;/h1-14H;1H3;/q;-1;/b30-23+,31-24-;;.
What are the key properties of carbanide;2-N-(2-fluorophenyl)-1-N-[2-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine;nickel?
carbanide;2-N-(2-fluorophenyl)-1-N-[2-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine;nickel has a molecular weight of 492.12 g/mol, XLogP of 7.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-N-(2-fluorophenyl)-1-N-[2-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine;nickel is sourced from PubChem (CID 59475444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).