6-nitro-1-(4-nitrophenyl)-9H-pyrido[3,4-b]indole

C17H10N4O4 — CID 73441786

IUPAC6-nitro-1-(4-nitrophenyl)-9H-pyrido[3,4-b]indole
SMILESO=[N+]([O-])c1ccc(-c2nccc3c2[nH]c2ccc([N+](=O)[O-])cc23)cc1
InChIInChI=1S/C17H10N4O4/c22-20(23)11-3-1-10(2-4-11)16-17-13(7-8-18-16)14-9-12(21(24)25)5-6-15(14)19-17/h1-9,19H
InChIKeyXOYUGSRNKGWGHA-UHFFFAOYSA-N
MW334.29 g/mol
LogP4.20
Rot. Bonds3

About 6-nitro-1-(4-nitrophenyl)-9H-pyrido[3,4-b]indole

6-nitro-1-(4-nitrophenyl)-9H-pyrido[3,4-b]indole (PubChem CID 73441786) has the molecular formula C17H10N4O4 and a molecular weight of 334.29 g/mol. Its IUPAC name is 6-nitro-1-(4-nitrophenyl)-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-nitro-1-(4-nitrophenyl)-9H-pyrido[3,4-b]indole
PubChem CID73441786
Molecular FormulaC17H10N4O4
Molecular Weight334.29 g/mol
Exact Mass334.07
IUPAC Name6-nitro-1-(4-nitrophenyl)-9H-pyrido[3,4-b]indole
SMILESO=[N+]([O-])c1ccc(-c2nccc3c2[nH]c2ccc([N+](=O)[O-])cc23)cc1
InChIInChI=1S/C17H10N4O4/c22-20(23)11-3-1-10(2-4-11)16-17-13(7-8-18-16)14-9-12(21(24)25)5-6-15(14)19-17/h1-9,19H
InChIKeyXOYUGSRNKGWGHA-UHFFFAOYSA-N
XLogP4.20
TPSA114.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3,8-dinitro-11,12-dihydroindolo[2,3-a]carbazole
CID 11653124
3,6-dibromo-1-(4-nitrophenyl)-9H-pyrido[3,4-b]indole
CID 169185958
1-chloro-6-nitro-9H-carbazole
CID 163637234
6-nitro-9H-carbazol-3-amine
CID 175861785
3-methyl-6-nitro-9H-carbazole
CID 58160212
(E)-3-(4-nitrophenyl)-1-(9H-pyrido[3,4-b]indol-1-yl)prop-2-en-1-one
CID 175518649
2,3-difluoro-5-nitro-1H-indole
CID 100933686
N-[1-(4-nitrophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanesulfonamide
CID 169185930
3-(3-methylphenyl)-5-nitro-1H-indazole
CID 71303796
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
2-[1-(4-nitrophenyl)isoquinolin-5-yl]acetic acid
CID 12851866
2-(4-nitrophenyl)-1H-pyrimidin-6-one
CID 43654581

Frequently Asked Questions

What is the IUPAC name of 6-nitro-1-(4-nitrophenyl)-9H-pyrido[3,4-b]indole?
The IUPAC name of 6-nitro-1-(4-nitrophenyl)-9H-pyrido[3,4-b]indole (CID 73441786) is 6-nitro-1-(4-nitrophenyl)-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 6-nitro-1-(4-nitrophenyl)-9H-pyrido[3,4-b]indole?
The canonical SMILES for 6-nitro-1-(4-nitrophenyl)-9H-pyrido[3,4-b]indole is O=[N+]([O-])c1ccc(-c2nccc3c2[nH]c2ccc([N+](=O)[O-])cc23)cc1.
What is the InChIKey of 6-nitro-1-(4-nitrophenyl)-9H-pyrido[3,4-b]indole?
The InChIKey is XOYUGSRNKGWGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4O4/c22-20(23)11-3-1-10(2-4-11)16-17-13(7-8-18-16)14-9-12(21(24)25)5-6-15(14)19-17/h1-9,19H.
What are the key properties of 6-nitro-1-(4-nitrophenyl)-9H-pyrido[3,4-b]indole?
6-nitro-1-(4-nitrophenyl)-9H-pyrido[3,4-b]indole has a molecular weight of 334.29 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-1-(4-nitrophenyl)-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 73441786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).