6-nitro-3-phenyl-2,3,4,9-tetrahydro-1H-carbazole

C18H16N2O2 — CID 20568388

IUPAC6-nitro-3-phenyl-2,3,4,9-tetrahydro-1H-carbazole
SMILESO=[N+]([O-])c1ccc2[nH]c3c(c2c1)CC(c1ccccc1)CC3
InChIInChI=1S/C18H16N2O2/c21-20(22)14-7-9-18-16(11-14)15-10-13(6-8-17(15)19-18)12-4-2-1-3-5-12/h1-5,7,9,11,13,19H,6,8,10H2
InChIKeyYHTNQLYCXGVMOG-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.35
Rot. Bonds2

About 6-nitro-3-phenyl-2,3,4,9-tetrahydro-1H-carbazole

6-nitro-3-phenyl-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 20568388) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 6-nitro-3-phenyl-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name6-nitro-3-phenyl-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID20568388
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name6-nitro-3-phenyl-2,3,4,9-tetrahydro-1H-carbazole
SMILESO=[N+]([O-])c1ccc2[nH]c3c(c2c1)CC(c1ccccc1)CC3
InChIInChI=1S/C18H16N2O2/c21-20(22)14-7-9-18-16(11-14)15-10-13(6-8-17(15)19-18)12-4-2-1-3-5-12/h1-5,7,9,11,13,19H,6,8,10H2
InChIKeyYHTNQLYCXGVMOG-UHFFFAOYSA-N
XLogP4.35
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'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 6-nitro-3-phenyl-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 6-nitro-3-phenyl-2,3,4,9-tetrahydro-1H-carbazole (CID 20568388) is 6-nitro-3-phenyl-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 6-nitro-3-phenyl-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 6-nitro-3-phenyl-2,3,4,9-tetrahydro-1H-carbazole is O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CC(c1ccccc1)CC3.
What is the InChIKey of 6-nitro-3-phenyl-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is YHTNQLYCXGVMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-20(22)14-7-9-18-16(11-14)15-10-13(6-8-17(15)19-18)12-4-2-1-3-5-12/h1-5,7,9,11,13,19H,6,8,10H2.
What are the key properties of 6-nitro-3-phenyl-2,3,4,9-tetrahydro-1H-carbazole?
6-nitro-3-phenyl-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 292.34 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-3-phenyl-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 20568388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).