3,8-dinitro-11,12-dihydroindolo[2,3-a]carbazole

C18H10N4O4 — CID 11653124

IUPAC3,8-dinitro-11,12-dihydroindolo[2,3-a]carbazole
SMILESO=[N+]([O-])c1ccc2[nH]c3c(ccc4c5cc([N+](=O)[O-])ccc5[nH]c43)c2c1
InChIInChI=1S/C18H10N4O4/c23-21(24)9-1-5-15-13(7-9)11-3-4-12-14-8-10(22(25)26)2-6-16(14)20-18(12)17(11)19-15/h1-8,19-20H
InChIKeyHSESGNIXJULVBL-UHFFFAOYSA-N
MW346.30 g/mol
LogP4.77
Rot. Bonds2

About 3,8-dinitro-11,12-dihydroindolo[2,3-a]carbazole

3,8-dinitro-11,12-dihydroindolo[2,3-a]carbazole (PubChem CID 11653124) has the molecular formula C18H10N4O4 and a molecular weight of 346.30 g/mol. Its IUPAC name is 3,8-dinitro-11,12-dihydroindolo[2,3-a]carbazole.

Molecular Properties

Compound Name3,8-dinitro-11,12-dihydroindolo[2,3-a]carbazole
PubChem CID11653124
Molecular FormulaC18H10N4O4
Molecular Weight346.30 g/mol
Exact Mass346.07
IUPAC Name3,8-dinitro-11,12-dihydroindolo[2,3-a]carbazole
SMILESO=[N+]([O-])c1ccc2[nH]c3c(ccc4c5cc([N+](=O)[O-])ccc5[nH]c43)c2c1
InChIInChI=1S/C18H10N4O4/c23-21(24)9-1-5-15-13(7-9)11-3-4-12-14-8-10(22(25)26)2-6-16(14)20-18(12)17(11)19-15/h1-8,19-20H
InChIKeyHSESGNIXJULVBL-UHFFFAOYSA-N
XLogP4.77
TPSA117.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

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CID 163637234
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CID 58160212
6-nitro-1-(4-nitrophenyl)-9H-pyrido[3,4-b]indole
CID 73441786
2,3-difluoro-5-nitro-1H-indole
CID 100933686
4-hydroxy-3,6-dinitro-1H-quinolin-2-one
CID 54696471
7-nitro-9-oxo-10H-acridine-4-carboxylic acid
CID 542089
3-methyl-5-nitro-1H-indole-2-carboxylate
CID 6963900
6-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 4038142
6-bromo-9-nitro-1,4-dihydrobenzo[f]quinoxaline-2,3-dione
CID 15066339
2-methyl-6-nitro-10H-acridin-9-one
CID 154179171
16-chloro-5-nitro-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 14146970

Frequently Asked Questions

What is the IUPAC name of 3,8-dinitro-11,12-dihydroindolo[2,3-a]carbazole?
The IUPAC name of 3,8-dinitro-11,12-dihydroindolo[2,3-a]carbazole (CID 11653124) is 3,8-dinitro-11,12-dihydroindolo[2,3-a]carbazole.
What is the SMILES notation for 3,8-dinitro-11,12-dihydroindolo[2,3-a]carbazole?
The canonical SMILES for 3,8-dinitro-11,12-dihydroindolo[2,3-a]carbazole is O=[N+]([O-])c1ccc2[nH]c3c(ccc4c5cc([N+](=O)[O-])ccc5[nH]c43)c2c1.
What is the InChIKey of 3,8-dinitro-11,12-dihydroindolo[2,3-a]carbazole?
The InChIKey is HSESGNIXJULVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N4O4/c23-21(24)9-1-5-15-13(7-9)11-3-4-12-14-8-10(22(25)26)2-6-16(14)20-18(12)17(11)19-15/h1-8,19-20H.
What are the key properties of 3,8-dinitro-11,12-dihydroindolo[2,3-a]carbazole?
3,8-dinitro-11,12-dihydroindolo[2,3-a]carbazole has a molecular weight of 346.30 g/mol, XLogP of 4.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dinitro-11,12-dihydroindolo[2,3-a]carbazole is sourced from PubChem (CID 11653124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).