[8,9-dicyano-2-(C-cyano-N-methylcarbonimidoyl)-9-methyliminonona-1,3,5,7-tetraenylidene]azanide

C15H11N6- — CID 72512162

IUPAC[8,9-dicyano-2-(C-cyano-N-methylcarbonimidoyl)-9-methyliminonona-1,3,5,7-tetraenylidene]azanide
SMILESC/N=C(\C#N)C(=C=[N-])C=CC=CC=C(C#N)/C(C#N)=N/C
InChIInChI=1S/C15H11N6/c1-20-14(10-18)12(8-16)6-4-3-5-7-13(9-17)15(11-19)21-2/h3-7H,1-2H3/q-1/b4-3?,7-5?,12-6?,20-14+,21-15+
InChIKeyHIFYHZIMRLULRY-KGTZXKQQSA-N
MW275.30 g/mol
LogP1.90
Rot. Bonds5

About [8,9-dicyano-2-(C-cyano-N-methylcarbonimidoyl)-9-methyliminonona-1,3,5,7-tetraenylidene]azanide

[8,9-dicyano-2-(C-cyano-N-methylcarbonimidoyl)-9-methyliminonona-1,3,5,7-tetraenylidene]azanide (PubChem CID 72512162) has the molecular formula C15H11N6- and a molecular weight of 275.30 g/mol. Its IUPAC name is [8,9-dicyano-2-(C-cyano-N-methylcarbonimidoyl)-9-methyliminonona-1,3,5,7-tetraenylidene]azanide.

Molecular Properties

Compound Name[8,9-dicyano-2-(C-cyano-N-methylcarbonimidoyl)-9-methyliminonona-1,3,5,7-tetraenylidene]azanide
PubChem CID72512162
Molecular FormulaC15H11N6-
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name[8,9-dicyano-2-(C-cyano-N-methylcarbonimidoyl)-9-methyliminonona-1,3,5,7-tetraenylidene]azanide
SMILESC/N=C(\C#N)C(=C=[N-])C=CC=CC=C(C#N)/C(C#N)=N/C
InChIInChI=1S/C15H11N6/c1-20-14(10-18)12(8-16)6-4-3-5-7-13(9-17)15(11-19)21-2/h3-7H,1-2H3/q-1/b4-3?,7-5?,12-6?,20-14+,21-15+
InChIKeyHIFYHZIMRLULRY-KGTZXKQQSA-N
XLogP1.90
TPSA118.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(7Z)-8,9-dicyano-2-(C-cyano-N-methylcarbonimidoyl)-9-methyliminonona-1,3,5,7-tetraenylidene]azanide
CID 59086722
(E)-2-ethenyl-4-methyliminopent-2-enenitrile
CID 117783478
(Z)-2-methylidene-5-methyliminohex-3-enenitrile
CID 117783479
(Z)-2-methylidene-3-methyliminohex-4-enenitrile
CID 123452029
5-Methyl-3-methylimino-2-propan-2-ylidenehex-4-enenitrile
CID 123764276
(2E)-2-ethylidene-5-methyl-3-methyliminohex-4-enenitrile
CID 123919888
(3Z,5E,8E,11Z)-3,6,9-trimethyl-2-methylidene-7-methyliminotetradeca-3,5,8,11-tetraenenitrile
CID 126491160
(4Z)-6-methyl-3-methyliminohepta-4,6-dienenitrile
CID 132037222
(2E)-2-(C,N-dimethylcarbonimidoyl)-4-methylpenta-2,4-dienenitrile
CID 139385990
6-methyl-3H-azepine-2-carbonitrile
CID 141791073
(2Z)-N-methyl-2-(6-methyliminocyclohexa-2,4-dien-1-ylidene)acetonitrilium
CID 148476559
[(4E)-4-(1-cyanopropylidene)-2,5-dimethylcyclohexa-2,5-dien-1-ylidene]cyanamide
CID 163864159

Frequently Asked Questions

What is the IUPAC name of [8,9-dicyano-2-(C-cyano-N-methylcarbonimidoyl)-9-methyliminonona-1,3,5,7-tetraenylidene]azanide?
The IUPAC name of [8,9-dicyano-2-(C-cyano-N-methylcarbonimidoyl)-9-methyliminonona-1,3,5,7-tetraenylidene]azanide (CID 72512162) is [8,9-dicyano-2-(C-cyano-N-methylcarbonimidoyl)-9-methyliminonona-1,3,5,7-tetraenylidene]azanide.
What is the SMILES notation for [8,9-dicyano-2-(C-cyano-N-methylcarbonimidoyl)-9-methyliminonona-1,3,5,7-tetraenylidene]azanide?
The canonical SMILES for [8,9-dicyano-2-(C-cyano-N-methylcarbonimidoyl)-9-methyliminonona-1,3,5,7-tetraenylidene]azanide is C/N=C(\C#N)C(=C=[N-])C=CC=CC=C(C#N)/C(C#N)=N/C.
What is the InChIKey of [8,9-dicyano-2-(C-cyano-N-methylcarbonimidoyl)-9-methyliminonona-1,3,5,7-tetraenylidene]azanide?
The InChIKey is HIFYHZIMRLULRY-KGTZXKQQSA-N. The full InChI is InChI=1S/C15H11N6/c1-20-14(10-18)12(8-16)6-4-3-5-7-13(9-17)15(11-19)21-2/h3-7H,1-2H3/q-1/b4-3?,7-5?,12-6?,20-14+,21-15+.
What are the key properties of [8,9-dicyano-2-(C-cyano-N-methylcarbonimidoyl)-9-methyliminonona-1,3,5,7-tetraenylidene]azanide?
[8,9-dicyano-2-(C-cyano-N-methylcarbonimidoyl)-9-methyliminonona-1,3,5,7-tetraenylidene]azanide has a molecular weight of 275.30 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8,9-dicyano-2-(C-cyano-N-methylcarbonimidoyl)-9-methyliminonona-1,3,5,7-tetraenylidene]azanide is sourced from PubChem (CID 72512162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).