2-nitro-9-phenylcarbazole

C18H12N2O2 — CID 149297764

IUPAC2-nitro-9-phenylcarbazole
SMILESO=[N+]([O-])c1ccc2c3ccccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C18H12N2O2/c21-20(22)14-10-11-16-15-8-4-5-9-17(15)19(18(16)12-14)13-6-2-1-3-7-13/h1-12H
InChIKeyXWDCEGHBTBXAOF-UHFFFAOYSA-N
MW288.31 g/mol
LogP4.69
Rot. Bonds2

About 2-nitro-9-phenylcarbazole

2-nitro-9-phenylcarbazole (PubChem CID 149297764) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-nitro-9-phenylcarbazole.

Molecular Properties

Compound Name2-nitro-9-phenylcarbazole
PubChem CID149297764
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name2-nitro-9-phenylcarbazole
SMILESO=[N+]([O-])c1ccc2c3ccccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C18H12N2O2/c21-20(22)14-10-11-16-15-8-4-5-9-17(15)19(18(16)12-14)13-6-2-1-3-7-13/h1-12H
InChIKeyXWDCEGHBTBXAOF-UHFFFAOYSA-N
XLogP4.69
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-nitro-9-phenylcarbazole?
The IUPAC name of 2-nitro-9-phenylcarbazole (CID 149297764) is 2-nitro-9-phenylcarbazole.
What is the SMILES notation for 2-nitro-9-phenylcarbazole?
The canonical SMILES for 2-nitro-9-phenylcarbazole is O=[N+]([O-])c1ccc2c3ccccc3n(-c3ccccc3)c2c1.
What is the InChIKey of 2-nitro-9-phenylcarbazole?
The InChIKey is XWDCEGHBTBXAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c21-20(22)14-10-11-16-15-8-4-5-9-17(15)19(18(16)12-14)13-6-2-1-3-7-13/h1-12H.
What are the key properties of 2-nitro-9-phenylcarbazole?
2-nitro-9-phenylcarbazole has a molecular weight of 288.31 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-9-phenylcarbazole is sourced from PubChem (CID 149297764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).