6-isocyano-2,7-dimethylphenazine-1-carbonitrile

C16H10N4 — CID 159762844

IUPAC6-isocyano-2,7-dimethylphenazine-1-carbonitrile
SMILES[C-]#[N+]c1c(C)ccc2nc3c(C#N)c(C)ccc3nc12
InChIInChI=1S/C16H10N4/c1-9-4-6-12-15(11(9)8-17)19-13-7-5-10(2)14(18-3)16(13)20-12/h4-7H,1-2H3
InChIKeyZYMVGRJMVJOOLD-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.82
Rot. Bonds

About 6-isocyano-2,7-dimethylphenazine-1-carbonitrile

6-isocyano-2,7-dimethylphenazine-1-carbonitrile (PubChem CID 159762844) has the molecular formula C16H10N4 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-isocyano-2,7-dimethylphenazine-1-carbonitrile.

Molecular Properties

Compound Name6-isocyano-2,7-dimethylphenazine-1-carbonitrile
PubChem CID159762844
Molecular FormulaC16H10N4
Molecular Weight258.28 g/mol
Exact Mass258.09
IUPAC Name6-isocyano-2,7-dimethylphenazine-1-carbonitrile
SMILES[C-]#[N+]c1c(C)ccc2nc3c(C#N)c(C)ccc3nc12
InChIInChI=1S/C16H10N4/c1-9-4-6-12-15(11(9)8-17)19-13-7-5-10(2)14(18-3)16(13)20-12/h4-7H,1-2H3
InChIKeyZYMVGRJMVJOOLD-UHFFFAOYSA-N
XLogP3.82
TPSA53.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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CID 171010516
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CID 23399500
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3-bromo-6-methyl-2-sulfanylbenzonitrile
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CID 169425543
4,6-dimethyl-2-(3,3,3-trifluoropropylamino)pyridine-3-carbonitrile
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4-[2-(3,4-diisocyano-2,5-dimethylphenyl)ethynyl]-3,6-dimethylbenzene-1,2-dicarbonitrile
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Frequently Asked Questions

What is the IUPAC name of 6-isocyano-2,7-dimethylphenazine-1-carbonitrile?
The IUPAC name of 6-isocyano-2,7-dimethylphenazine-1-carbonitrile (CID 159762844) is 6-isocyano-2,7-dimethylphenazine-1-carbonitrile.
What is the SMILES notation for 6-isocyano-2,7-dimethylphenazine-1-carbonitrile?
The canonical SMILES for 6-isocyano-2,7-dimethylphenazine-1-carbonitrile is [C-]#[N+]c1c(C)ccc2nc3c(C#N)c(C)ccc3nc12.
What is the InChIKey of 6-isocyano-2,7-dimethylphenazine-1-carbonitrile?
The InChIKey is ZYMVGRJMVJOOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4/c1-9-4-6-12-15(11(9)8-17)19-13-7-5-10(2)14(18-3)16(13)20-12/h4-7H,1-2H3.
What are the key properties of 6-isocyano-2,7-dimethylphenazine-1-carbonitrile?
6-isocyano-2,7-dimethylphenazine-1-carbonitrile has a molecular weight of 258.28 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-isocyano-2,7-dimethylphenazine-1-carbonitrile is sourced from PubChem (CID 159762844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).