10-bromo-4-nitro-7H-benzo[c]carbazole

C16H9BrN2O2 — CID 71323720

IUPAC10-bromo-4-nitro-7H-benzo[c]carbazole
SMILESO=[N+]([O-])c1cccc2c1ccc1[nH]c3ccc(Br)cc3c12
InChIInChI=1S/C16H9BrN2O2/c17-9-4-6-13-12(8-9)16-11-2-1-3-15(19(20)21)10(11)5-7-14(16)18-13/h1-8,18H
InChIKeyHPUISIMMRUFSDI-UHFFFAOYSA-N
MW341.16 g/mol
LogP5.14
Rot. Bonds1

About 10-bromo-4-nitro-7H-benzo[c]carbazole

10-bromo-4-nitro-7H-benzo[c]carbazole (PubChem CID 71323720) has the molecular formula C16H9BrN2O2 and a molecular weight of 341.16 g/mol. Its IUPAC name is 10-bromo-4-nitro-7H-benzo[c]carbazole.

Molecular Properties

Compound Name10-bromo-4-nitro-7H-benzo[c]carbazole
PubChem CID71323720
Molecular FormulaC16H9BrN2O2
Molecular Weight341.16 g/mol
Exact Mass339.98
IUPAC Name10-bromo-4-nitro-7H-benzo[c]carbazole
SMILESO=[N+]([O-])c1cccc2c1ccc1[nH]c3ccc(Br)cc3c12
InChIInChI=1S/C16H9BrN2O2/c17-9-4-6-13-12(8-9)16-11-2-1-3-15(19(20)21)10(11)5-7-14(16)18-13/h1-8,18H
InChIKeyHPUISIMMRUFSDI-UHFFFAOYSA-N
XLogP5.14
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.16
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 10-bromo-4-nitro-7H-benzo[c]carbazole?
The IUPAC name of 10-bromo-4-nitro-7H-benzo[c]carbazole (CID 71323720) is 10-bromo-4-nitro-7H-benzo[c]carbazole.
What is the SMILES notation for 10-bromo-4-nitro-7H-benzo[c]carbazole?
The canonical SMILES for 10-bromo-4-nitro-7H-benzo[c]carbazole is O=[N+]([O-])c1cccc2c1ccc1[nH]c3ccc(Br)cc3c12.
What is the InChIKey of 10-bromo-4-nitro-7H-benzo[c]carbazole?
The InChIKey is HPUISIMMRUFSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrN2O2/c17-9-4-6-13-12(8-9)16-11-2-1-3-15(19(20)21)10(11)5-7-14(16)18-13/h1-8,18H.
What are the key properties of 10-bromo-4-nitro-7H-benzo[c]carbazole?
10-bromo-4-nitro-7H-benzo[c]carbazole has a molecular weight of 341.16 g/mol, XLogP of 5.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-4-nitro-7H-benzo[c]carbazole is sourced from PubChem (CID 71323720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).