4-(6-nitro-4-phenyl-9H-pyrido[2,3-b]indol-3-yl)aniline

C23H16N4O2 — CID 58790603

IUPAC4-(6-nitro-4-phenyl-9H-pyrido[2,3-b]indol-3-yl)aniline
SMILESNc1ccc(-c2cnc3[nH]c4ccc([N+](=O)[O-])cc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C23H16N4O2/c24-16-8-6-14(7-9-16)19-13-25-23-22(21(19)15-4-2-1-3-5-15)18-12-17(27(28)29)10-11-20(18)26-23/h1-13H,24H2,(H,25,26)
InChIKeySDFOAABMEIWSDE-UHFFFAOYSA-N
MW380.41 g/mol
LogP5.54
Rot. Bonds3

About 4-(6-nitro-4-phenyl-9H-pyrido[2,3-b]indol-3-yl)aniline

4-(6-nitro-4-phenyl-9H-pyrido[2,3-b]indol-3-yl)aniline (PubChem CID 58790603) has the molecular formula C23H16N4O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 4-(6-nitro-4-phenyl-9H-pyrido[2,3-b]indol-3-yl)aniline.

Molecular Properties

Compound Name4-(6-nitro-4-phenyl-9H-pyrido[2,3-b]indol-3-yl)aniline
PubChem CID58790603
Molecular FormulaC23H16N4O2
Molecular Weight380.41 g/mol
Exact Mass380.13
IUPAC Name4-(6-nitro-4-phenyl-9H-pyrido[2,3-b]indol-3-yl)aniline
SMILESNc1ccc(-c2cnc3[nH]c4ccc([N+](=O)[O-])cc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C23H16N4O2/c24-16-8-6-14(7-9-16)19-13-25-23-22(21(19)15-4-2-1-3-5-15)18-12-17(27(28)29)10-11-20(18)26-23/h1-13H,24H2,(H,25,26)
InChIKeySDFOAABMEIWSDE-UHFFFAOYSA-N
XLogP5.54
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.41
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylphenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-amine
CID 143364157
methyl 3-(4-aminophenyl)-4-phenyl-9H-pyrido[2,3-b]indole-6-carboxylate
CID 58790649
3-(3-bromophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-amine
CID 58790896
3-(4-aminophenyl)-N-methyl-4-phenyl-N-thiophen-2-ylsulfanyl-9H-pyrido[2,3-b]indol-6-amine
CID 143364264
[3-(4-aminophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl] thiophene-2-sulfonate
CID 58791070
methyl 3-(4-nitrophenyl)-4-pyridin-2-yl-9H-pyrido[2,3-b]indole-6-carboxylate
CID 71221369
6-nitro-9H-carbazol-3-amine
CID 175861785
3-iodo-6-nitro-4-phenylquinoline
CID 101498418
3-bromo-6-nitro-4-phenyl-1H-quinolin-2-one
CID 141227900
(5-nitro-3-phenyl-1H-indol-2-yl) hydrogen carbonate
CID 68849165
N-[(5-nitro-3-phenyl-1H-indol-2-yl)methyl]propan-2-amine
CID 171983789
6-(4-aminophenyl)-2,3-bis(4-nitrophenyl)aniline
CID 174929403

Frequently Asked Questions

What is the IUPAC name of 4-(6-nitro-4-phenyl-9H-pyrido[2,3-b]indol-3-yl)aniline?
The IUPAC name of 4-(6-nitro-4-phenyl-9H-pyrido[2,3-b]indol-3-yl)aniline (CID 58790603) is 4-(6-nitro-4-phenyl-9H-pyrido[2,3-b]indol-3-yl)aniline.
What is the SMILES notation for 4-(6-nitro-4-phenyl-9H-pyrido[2,3-b]indol-3-yl)aniline?
The canonical SMILES for 4-(6-nitro-4-phenyl-9H-pyrido[2,3-b]indol-3-yl)aniline is Nc1ccc(-c2cnc3[nH]c4ccc([N+](=O)[O-])cc4c3c2-c2ccccc2)cc1.
What is the InChIKey of 4-(6-nitro-4-phenyl-9H-pyrido[2,3-b]indol-3-yl)aniline?
The InChIKey is SDFOAABMEIWSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O2/c24-16-8-6-14(7-9-16)19-13-25-23-22(21(19)15-4-2-1-3-5-15)18-12-17(27(28)29)10-11-20(18)26-23/h1-13H,24H2,(H,25,26).
What are the key properties of 4-(6-nitro-4-phenyl-9H-pyrido[2,3-b]indol-3-yl)aniline?
4-(6-nitro-4-phenyl-9H-pyrido[2,3-b]indol-3-yl)aniline has a molecular weight of 380.41 g/mol, XLogP of 5.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-nitro-4-phenyl-9H-pyrido[2,3-b]indol-3-yl)aniline is sourced from PubChem (CID 58790603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).