9-methyl-3-[1-[4-(2-nitrophenyl)triazol-1-yl]ethyl]carbazole

C23H19N5O2 — CID 57414399

IUPAC9-methyl-3-[1-[4-(2-nitrophenyl)triazol-1-yl]ethyl]carbazole
SMILESCC(c1ccc2c(c1)c1ccccc1n2C)n1cc(-c2ccccc2[N+](=O)[O-])nn1
InChIInChI=1S/C23H19N5O2/c1-15(27-14-20(24-25-27)18-8-4-6-10-23(18)28(29)30)16-11-12-22-19(13-16)17-7-3-5-9-21(17)26(22)2/h3-15H,1-2H3
InChIKeyFPEUHIIHPMTKPI-UHFFFAOYSA-N
MW397.44 g/mol
LogP5.11
Rot. Bonds4

About 9-methyl-3-[1-[4-(2-nitrophenyl)triazol-1-yl]ethyl]carbazole

9-methyl-3-[1-[4-(2-nitrophenyl)triazol-1-yl]ethyl]carbazole (PubChem CID 57414399) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 9-methyl-3-[1-[4-(2-nitrophenyl)triazol-1-yl]ethyl]carbazole.

Molecular Properties

Compound Name9-methyl-3-[1-[4-(2-nitrophenyl)triazol-1-yl]ethyl]carbazole
PubChem CID57414399
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name9-methyl-3-[1-[4-(2-nitrophenyl)triazol-1-yl]ethyl]carbazole
SMILESCC(c1ccc2c(c1)c1ccccc1n2C)n1cc(-c2ccccc2[N+](=O)[O-])nn1
InChIInChI=1S/C23H19N5O2/c1-15(27-14-20(24-25-27)18-8-4-6-10-23(18)28(29)30)16-11-12-22-19(13-16)17-7-3-5-9-21(17)26(22)2/h3-15H,1-2H3
InChIKeyFPEUHIIHPMTKPI-UHFFFAOYSA-N
XLogP5.11
TPSA78.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.44
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-[1-[4-(2-nitrophenyl)triazol-1-yl]ethyl]carbazole?
The IUPAC name of 9-methyl-3-[1-[4-(2-nitrophenyl)triazol-1-yl]ethyl]carbazole (CID 57414399) is 9-methyl-3-[1-[4-(2-nitrophenyl)triazol-1-yl]ethyl]carbazole.
What is the SMILES notation for 9-methyl-3-[1-[4-(2-nitrophenyl)triazol-1-yl]ethyl]carbazole?
The canonical SMILES for 9-methyl-3-[1-[4-(2-nitrophenyl)triazol-1-yl]ethyl]carbazole is CC(c1ccc2c(c1)c1ccccc1n2C)n1cc(-c2ccccc2[N+](=O)[O-])nn1.
What is the InChIKey of 9-methyl-3-[1-[4-(2-nitrophenyl)triazol-1-yl]ethyl]carbazole?
The InChIKey is FPEUHIIHPMTKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-15(27-14-20(24-25-27)18-8-4-6-10-23(18)28(29)30)16-11-12-22-19(13-16)17-7-3-5-9-21(17)26(22)2/h3-15H,1-2H3.
What are the key properties of 9-methyl-3-[1-[4-(2-nitrophenyl)triazol-1-yl]ethyl]carbazole?
9-methyl-3-[1-[4-(2-nitrophenyl)triazol-1-yl]ethyl]carbazole has a molecular weight of 397.44 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-[1-[4-(2-nitrophenyl)triazol-1-yl]ethyl]carbazole is sourced from PubChem (CID 57414399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).