9-[2-cyano-5-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-7-isocyanocarbazole-2-carbonitrile

C26H15N7 — CID 140871836

IUPAC9-[2-cyano-5-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-7-isocyanocarbazole-2-carbonitrile
SMILES[C-]#[N+]c1ccc2c3ccc(C#N)cc3n(-c3cc(-c4nc(C)nc(C)n4)ccc3C#N)c2c1
InChIInChI=1S/C26H15N7/c1-15-30-16(2)32-26(31-15)18-5-6-19(14-28)23(11-18)33-24-10-17(13-27)4-8-21(24)22-9-7-20(29-3)12-25(22)33/h4-12H,1-2H3
InChIKeyRTVZOGUZCSZYHH-UHFFFAOYSA-N
MW425.46 g/mol
LogP5.55
Rot. Bonds2

About 9-[2-cyano-5-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-7-isocyanocarbazole-2-carbonitrile

9-[2-cyano-5-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-7-isocyanocarbazole-2-carbonitrile (PubChem CID 140871836) has the molecular formula C26H15N7 and a molecular weight of 425.46 g/mol. Its IUPAC name is 9-[2-cyano-5-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-7-isocyanocarbazole-2-carbonitrile.

Molecular Properties

Compound Name9-[2-cyano-5-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-7-isocyanocarbazole-2-carbonitrile
PubChem CID140871836
Molecular FormulaC26H15N7
Molecular Weight425.46 g/mol
Exact Mass425.14
IUPAC Name9-[2-cyano-5-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-7-isocyanocarbazole-2-carbonitrile
SMILES[C-]#[N+]c1ccc2c3ccc(C#N)cc3n(-c3cc(-c4nc(C)nc(C)n4)ccc3C#N)c2c1
InChIInChI=1S/C26H15N7/c1-15-30-16(2)32-26(31-15)18-5-6-19(14-28)23(11-18)33-24-10-17(13-27)4-8-21(24)22-9-7-20(29-3)12-25(22)33/h4-12H,1-2H3
InChIKeyRTVZOGUZCSZYHH-UHFFFAOYSA-N
XLogP5.55
TPSA95.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.46
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

9-[2-cyano-3-(2-cyano-7-isocyanocarbazol-9-yl)-5-(2,6-dimethyl-4-pyridinyl)phenyl]-7-isocyanocarbazole-2-carbonitrile
CID 140846709
4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 134508031
4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[2-(2-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 140871885
9-[2-cyano-4-(2-cyano-7-isocyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]-7-isocyanocarbazole-2-carbonitrile
CID 155646678
2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134508036
3-[2-(3-cyanophenyl)-7-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 161096795
9-[3-cyano-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile;9-[4-cyano-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile;9-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile;9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile
CID 159941164
2-[2,7-bis(4-isocyanophenyl)carbazol-9-yl]-5-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile
CID 158698213
9-[5-[2-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 155605003
2,6-bis[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile
CID 155217681
3-[3-(4-cyanophenyl)carbazol-9-yl]-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4-isocyanophenyl)carbazol-9-yl]phenyl]benzonitrile
CID 154603045
2,6-bis[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;2,6-bis[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;2-[2-(3-cyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-6-[2-(3-isocyanophenyl)carbazol-9-yl]benzonitrile;2-[3-(2-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-(2-isocyanophenyl)carbazol-9-yl]benzonitrile;4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2,6-bis[2-(2-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 158829725

Frequently Asked Questions

What is the IUPAC name of 9-[2-cyano-5-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-7-isocyanocarbazole-2-carbonitrile?
The IUPAC name of 9-[2-cyano-5-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-7-isocyanocarbazole-2-carbonitrile (CID 140871836) is 9-[2-cyano-5-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-7-isocyanocarbazole-2-carbonitrile.
What is the SMILES notation for 9-[2-cyano-5-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-7-isocyanocarbazole-2-carbonitrile?
The canonical SMILES for 9-[2-cyano-5-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-7-isocyanocarbazole-2-carbonitrile is [C-]#[N+]c1ccc2c3ccc(C#N)cc3n(-c3cc(-c4nc(C)nc(C)n4)ccc3C#N)c2c1.
What is the InChIKey of 9-[2-cyano-5-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-7-isocyanocarbazole-2-carbonitrile?
The InChIKey is RTVZOGUZCSZYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15N7/c1-15-30-16(2)32-26(31-15)18-5-6-19(14-28)23(11-18)33-24-10-17(13-27)4-8-21(24)22-9-7-20(29-3)12-25(22)33/h4-12H,1-2H3.
What are the key properties of 9-[2-cyano-5-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-7-isocyanocarbazole-2-carbonitrile?
9-[2-cyano-5-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-7-isocyanocarbazole-2-carbonitrile has a molecular weight of 425.46 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-cyano-5-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-7-isocyanocarbazole-2-carbonitrile is sourced from PubChem (CID 140871836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).