[cyano-[6-(dicyanomethylidene)naphthalen-2-ylidene]methyl]-methylidyneazanium

C16H7N4+ — CID 123823276

IUPAC[cyano-[6-(dicyanomethylidene)naphthalen-2-ylidene]methyl]-methylidyneazanium
SMILESC#[N+]C(C#N)=c1ccc2cc(=C(C#N)C#N)ccc2c1
InChIInChI=1S/C16H7N4/c1-20-16(10-19)14-5-4-11-6-13(15(8-17)9-18)3-2-12(11)7-14/h1-7H/q+1
InChIKeyPMOYCOWYOOLGIC-UHFFFAOYSA-N
MW255.26 g/mol
LogP1.63
Rot. Bonds

About [cyano-[6-(dicyanomethylidene)naphthalen-2-ylidene]methyl]-methylidyneazanium

[cyano-[6-(dicyanomethylidene)naphthalen-2-ylidene]methyl]-methylidyneazanium (PubChem CID 123823276) has the molecular formula C16H7N4+ and a molecular weight of 255.26 g/mol. Its IUPAC name is [cyano-[6-(dicyanomethylidene)naphthalen-2-ylidene]methyl]-methylidyneazanium.

Molecular Properties

Compound Name[cyano-[6-(dicyanomethylidene)naphthalen-2-ylidene]methyl]-methylidyneazanium
PubChem CID123823276
Molecular FormulaC16H7N4+
Molecular Weight255.26 g/mol
Exact Mass255.07
IUPAC Name[cyano-[6-(dicyanomethylidene)naphthalen-2-ylidene]methyl]-methylidyneazanium
SMILESC#[N+]C(C#N)=c1ccc2cc(=C(C#N)C#N)ccc2c1
InChIInChI=1S/C16H7N4/c1-20-16(10-19)14-5-4-11-6-13(15(8-17)9-18)3-2-12(11)7-14/h1-7H/q+1
InChIKeyPMOYCOWYOOLGIC-UHFFFAOYSA-N
XLogP1.63
TPSA75.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2Z)-2-[(6E)-6-[cyano(isocyano)methylidene]anthracen-2-ylidene]-2-isocyanoacetonitrile
CID 168853223
2,3-bis[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]butanedinitrile
CID 100976409
2-[4-[4-[cyano(isocyano)methylidene]cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile
CID 123585448
2-[4-[cyano(hydroxy)methylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile
CID 11465516
2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile;hexahelicene
CID 139203548
2-[4-(aminomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile
CID 88893793
2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile;bis(1H-quinolin-2-one)
CID 139146174
2-[(3-bromo-5-chloro-4-hydroxyphenyl)hydrazinylidene]propanedinitrile
CID 169338715
2-[4-(dicyanomethylidene)-3-hexadecylcyclohexa-2,5-dien-1-ylidene]propanedinitrile
CID 15700736
2-phenoxazin-3-ylidenepropanedinitrile
CID 13413067
2-isocyano-2-[2,3,5-trichloro-4-[cyano(isocyano)methylidene]cyclohexa-2,5-dien-1-ylidene]acetonitrile
CID 76766325
2-[4-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile
CID 90781602

Frequently Asked Questions

What is the IUPAC name of [cyano-[6-(dicyanomethylidene)naphthalen-2-ylidene]methyl]-methylidyneazanium?
The IUPAC name of [cyano-[6-(dicyanomethylidene)naphthalen-2-ylidene]methyl]-methylidyneazanium (CID 123823276) is [cyano-[6-(dicyanomethylidene)naphthalen-2-ylidene]methyl]-methylidyneazanium.
What is the SMILES notation for [cyano-[6-(dicyanomethylidene)naphthalen-2-ylidene]methyl]-methylidyneazanium?
The canonical SMILES for [cyano-[6-(dicyanomethylidene)naphthalen-2-ylidene]methyl]-methylidyneazanium is C#[N+]C(C#N)=c1ccc2cc(=C(C#N)C#N)ccc2c1.
What is the InChIKey of [cyano-[6-(dicyanomethylidene)naphthalen-2-ylidene]methyl]-methylidyneazanium?
The InChIKey is PMOYCOWYOOLGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7N4/c1-20-16(10-19)14-5-4-11-6-13(15(8-17)9-18)3-2-12(11)7-14/h1-7H/q+1.
What are the key properties of [cyano-[6-(dicyanomethylidene)naphthalen-2-ylidene]methyl]-methylidyneazanium?
[cyano-[6-(dicyanomethylidene)naphthalen-2-ylidene]methyl]-methylidyneazanium has a molecular weight of 255.26 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [cyano-[6-(dicyanomethylidene)naphthalen-2-ylidene]methyl]-methylidyneazanium is sourced from PubChem (CID 123823276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).