9-(4-nitrophenyl)pyrido[3,4-b]indole

C17H11N3O2 — CID 5239144

IUPAC9-(4-nitrophenyl)pyrido[3,4-b]indole
SMILESO=[N+]([O-])c1ccc(-n2c3ccccc3c3ccncc32)cc1
InChIInChI=1S/C17H11N3O2/c21-20(22)13-7-5-12(6-8-13)19-16-4-2-1-3-14(16)15-9-10-18-11-17(15)19/h1-11H
InChIKeyXJFIJMUNORMRCD-UHFFFAOYSA-N
MW289.29 g/mol
LogP4.09
Rot. Bonds2

About 9-(4-nitrophenyl)pyrido[3,4-b]indole

9-(4-nitrophenyl)pyrido[3,4-b]indole (PubChem CID 5239144) has the molecular formula C17H11N3O2 and a molecular weight of 289.29 g/mol. Its IUPAC name is 9-(4-nitrophenyl)pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-(4-nitrophenyl)pyrido[3,4-b]indole
PubChem CID5239144
Molecular FormulaC17H11N3O2
Molecular Weight289.29 g/mol
Exact Mass289.09
IUPAC Name9-(4-nitrophenyl)pyrido[3,4-b]indole
SMILESO=[N+]([O-])c1ccc(-n2c3ccccc3c3ccncc32)cc1
InChIInChI=1S/C17H11N3O2/c21-20(22)13-7-5-12(6-8-13)19-16-4-2-1-3-14(16)15-9-10-18-11-17(15)19/h1-11H
InChIKeyXJFIJMUNORMRCD-UHFFFAOYSA-N
XLogP4.09
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 54.09
H-Bond Donors ≤ 50
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'}

Analyze 9-(4-nitrophenyl)pyrido[3,4-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-nitro-9-(4-nitrophenyl)carbazole
CID 23847398
6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole
CID 90336700
3-nitro-9-phenylcarbazole;9-phenylcarbazole
CID 159323942
9-nitropyrido[3,4-b]indole;hydrochloride
CID 22185253
10-phenyl-5-(4-pyrido[3,4-b]indol-9-ylphenyl)phenophosphazinine 10-oxide
CID 130260325
1-(4-nitrophenyl)-2-phenylquinolin-4-one
CID 44632197
10-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 139575264
9-phenyl-8-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole
CID 129221348
9-[4-[2-(4-phenylphenyl)-6-[4-[4-[3-[6-phenyl-4-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]pyrido[3,4-b]indole
CID 163966802
3-methyl-9-[4-[4-(3-nitrocarbazol-9-yl)phenyl]phenyl]carbazole
CID 22944348
9-[4-[[4-(4-methylphenyl)phenyl]methyl]phenyl]pyrido[3,4-b]indole
CID 143291588
10,20-diphenyl-7,10,17,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
CID 123184243

Frequently Asked Questions

What is the IUPAC name of 9-(4-nitrophenyl)pyrido[3,4-b]indole?
The IUPAC name of 9-(4-nitrophenyl)pyrido[3,4-b]indole (CID 5239144) is 9-(4-nitrophenyl)pyrido[3,4-b]indole.
What is the SMILES notation for 9-(4-nitrophenyl)pyrido[3,4-b]indole?
The canonical SMILES for 9-(4-nitrophenyl)pyrido[3,4-b]indole is O=[N+]([O-])c1ccc(-n2c3ccccc3c3ccncc32)cc1.
What is the InChIKey of 9-(4-nitrophenyl)pyrido[3,4-b]indole?
The InChIKey is XJFIJMUNORMRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2/c21-20(22)13-7-5-12(6-8-13)19-16-4-2-1-3-14(16)15-9-10-18-11-17(15)19/h1-11H.
What are the key properties of 9-(4-nitrophenyl)pyrido[3,4-b]indole?
9-(4-nitrophenyl)pyrido[3,4-b]indole has a molecular weight of 289.29 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-nitrophenyl)pyrido[3,4-b]indole is sourced from PubChem (CID 5239144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).