3-isocyano-9-(1-methylimidazol-2-yl)carbazole

C17H12N4 — CID 140698912

IUPAC3-isocyano-9-(1-methylimidazol-2-yl)carbazole
SMILES[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1nccn1C
InChIInChI=1S/C17H12N4/c1-18-12-7-8-16-14(11-12)13-5-3-4-6-15(13)21(16)17-19-9-10-20(17)2/h3-11H,2H3
InChIKeyORNZPTVGMCZKKQ-UHFFFAOYSA-N
MW272.31 g/mol
LogP4.07
Rot. Bonds1

About 3-isocyano-9-(1-methylimidazol-2-yl)carbazole

3-isocyano-9-(1-methylimidazol-2-yl)carbazole (PubChem CID 140698912) has the molecular formula C17H12N4 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-isocyano-9-(1-methylimidazol-2-yl)carbazole.

Molecular Properties

Compound Name3-isocyano-9-(1-methylimidazol-2-yl)carbazole
PubChem CID140698912
Molecular FormulaC17H12N4
Molecular Weight272.31 g/mol
Exact Mass272.11
IUPAC Name3-isocyano-9-(1-methylimidazol-2-yl)carbazole
SMILES[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1nccn1C
InChIInChI=1S/C17H12N4/c1-18-12-7-8-16-14(11-12)13-5-3-4-6-15(13)21(16)17-19-9-10-20(17)2/h3-11H,2H3
InChIKeyORNZPTVGMCZKKQ-UHFFFAOYSA-N
XLogP4.07
TPSA27.11 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-9-(1-methylimidazol-2-yl)carbazole
CID 162492208
5-[2-(3-isocyanocarbazol-9-yl)-3,4,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
CID 164791660
9-[2-(2-carbazol-9-ylphenyl)phenyl]-3,6-diisocyanocarbazole
CID 159275273
9-(3-carbazol-9-yl-5,6-diphenylpyrazin-2-yl)-3-isocyanocarbazole
CID 158102925
6-isocyano-9-(3-isocyanophenyl)-1-(9-phenylcarbazol-1-yl)carbazole
CID 140759875
9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile
CID 158309650
9-[4-cyano-2-[5-cyano-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 167401161
3-[9-(4-isocyanophenyl)carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 140708240
9-[2-[5-cyano-2-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile
CID 153455486
[3-isocyano-5-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane
CID 153318570
9-[2-(2-carbazol-9-ylphenyl)phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 159259962
2-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole
CID 123269326

Frequently Asked Questions

What is the IUPAC name of 3-isocyano-9-(1-methylimidazol-2-yl)carbazole?
The IUPAC name of 3-isocyano-9-(1-methylimidazol-2-yl)carbazole (CID 140698912) is 3-isocyano-9-(1-methylimidazol-2-yl)carbazole.
What is the SMILES notation for 3-isocyano-9-(1-methylimidazol-2-yl)carbazole?
The canonical SMILES for 3-isocyano-9-(1-methylimidazol-2-yl)carbazole is [C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1nccn1C.
What is the InChIKey of 3-isocyano-9-(1-methylimidazol-2-yl)carbazole?
The InChIKey is ORNZPTVGMCZKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4/c1-18-12-7-8-16-14(11-12)13-5-3-4-6-15(13)21(16)17-19-9-10-20(17)2/h3-11H,2H3.
What are the key properties of 3-isocyano-9-(1-methylimidazol-2-yl)carbazole?
3-isocyano-9-(1-methylimidazol-2-yl)carbazole has a molecular weight of 272.31 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isocyano-9-(1-methylimidazol-2-yl)carbazole is sourced from PubChem (CID 140698912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).