carbanide;3-methyl-1-N,2-N-bis(2,4,6-trimethylphenyl)cyclopentane-1,2-diimine;nickel

C25H33N2Ni- — CID 20789268

IUPACcarbanide;3-methyl-1-N,2-N-bis(2,4,6-trimethylphenyl)cyclopentane-1,2-diimine;nickel
SMILESCc1cc(C)c(/N=C2\CCC(C)\C2=N/c2c(C)cc(C)cc2C)c(C)c1.[CH3-].[Ni]
InChIInChI=1S/C24H30N2.CH3.Ni/c1-14-10-17(4)22(18(5)11-14)25-21-9-8-16(3)24(21)26-23-19(6)12-15(2)13-20(23)7;;/h10-13,16H,8-9H2,1-7H3;1H3;/q;-1;/b25-21+,26-24+;;
InChIKeyXJONQNZTICQWAB-WRBUNQOLSA-N
MW420.25 g/mol
LogP7.26
Rot. Bonds2

About carbanide;3-methyl-1-N,2-N-bis(2,4,6-trimethylphenyl)cyclopentane-1,2-diimine;nickel

carbanide;3-methyl-1-N,2-N-bis(2,4,6-trimethylphenyl)cyclopentane-1,2-diimine;nickel (PubChem CID 20789268) has the molecular formula C25H33N2Ni- and a molecular weight of 420.25 g/mol. Its IUPAC name is carbanide;3-methyl-1-N,2-N-bis(2,4,6-trimethylphenyl)cyclopentane-1,2-diimine;nickel.

Molecular Properties

Compound Namecarbanide;3-methyl-1-N,2-N-bis(2,4,6-trimethylphenyl)cyclopentane-1,2-diimine;nickel
PubChem CID20789268
Molecular FormulaC25H33N2Ni-
Molecular Weight420.25 g/mol
Exact Mass419.20
IUPAC Namecarbanide;3-methyl-1-N,2-N-bis(2,4,6-trimethylphenyl)cyclopentane-1,2-diimine;nickel
SMILESCc1cc(C)c(/N=C2\CCC(C)\C2=N/c2c(C)cc(C)cc2C)c(C)c1.[CH3-].[Ni]
InChIInChI=1S/C24H30N2.CH3.Ni/c1-14-10-17(4)22(18(5)11-14)25-21-9-8-16(3)24(21)26-23-19(6)12-15(2)13-20(23)7;;/h10-13,16H,8-9H2,1-7H3;1H3;/q;-1;/b25-21+,26-24+;;
InChIKeyXJONQNZTICQWAB-WRBUNQOLSA-N
XLogP7.26
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.25
LogP ≤ 57.26
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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Frequently Asked Questions

What is the IUPAC name of carbanide;3-methyl-1-N,2-N-bis(2,4,6-trimethylphenyl)cyclopentane-1,2-diimine;nickel?
The IUPAC name of carbanide;3-methyl-1-N,2-N-bis(2,4,6-trimethylphenyl)cyclopentane-1,2-diimine;nickel (CID 20789268) is carbanide;3-methyl-1-N,2-N-bis(2,4,6-trimethylphenyl)cyclopentane-1,2-diimine;nickel.
What is the SMILES notation for carbanide;3-methyl-1-N,2-N-bis(2,4,6-trimethylphenyl)cyclopentane-1,2-diimine;nickel?
The canonical SMILES for carbanide;3-methyl-1-N,2-N-bis(2,4,6-trimethylphenyl)cyclopentane-1,2-diimine;nickel is Cc1cc(C)c(/N=C2\CCC(C)\C2=N/c2c(C)cc(C)cc2C)c(C)c1.[CH3-].[Ni].
What is the InChIKey of carbanide;3-methyl-1-N,2-N-bis(2,4,6-trimethylphenyl)cyclopentane-1,2-diimine;nickel?
The InChIKey is XJONQNZTICQWAB-WRBUNQOLSA-N. The full InChI is InChI=1S/C24H30N2.CH3.Ni/c1-14-10-17(4)22(18(5)11-14)25-21-9-8-16(3)24(21)26-23-19(6)12-15(2)13-20(23)7;;/h10-13,16H,8-9H2,1-7H3;1H3;/q;-1;/b25-21+,26-24+;;.
What are the key properties of carbanide;3-methyl-1-N,2-N-bis(2,4,6-trimethylphenyl)cyclopentane-1,2-diimine;nickel?
carbanide;3-methyl-1-N,2-N-bis(2,4,6-trimethylphenyl)cyclopentane-1,2-diimine;nickel has a molecular weight of 420.25 g/mol, XLogP of 7.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;3-methyl-1-N,2-N-bis(2,4,6-trimethylphenyl)cyclopentane-1,2-diimine;nickel is sourced from PubChem (CID 20789268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).