4,6-bis(2-nitrophenyl)-9H-pyrido[2,3-b]indole

C23H14N4O4 — CID 87140592

IUPAC4,6-bis(2-nitrophenyl)-9H-pyrido[2,3-b]indole
SMILESO=[N+]([O-])c1ccccc1-c1ccc2[nH]c3nccc(-c4ccccc4[N+](=O)[O-])c3c2c1
InChIInChI=1S/C23H14N4O4/c28-26(29)20-7-3-1-5-15(20)14-9-10-19-18(13-14)22-17(11-12-24-23(22)25-19)16-6-2-4-8-21(16)27(30)31/h1-13H,(H,24,25)
InChIKeyHZRZUMDSQUXEGY-UHFFFAOYSA-N
MW410.39 g/mol
LogP5.87
Rot. Bonds4

About 4,6-bis(2-nitrophenyl)-9H-pyrido[2,3-b]indole

4,6-bis(2-nitrophenyl)-9H-pyrido[2,3-b]indole (PubChem CID 87140592) has the molecular formula C23H14N4O4 and a molecular weight of 410.39 g/mol. Its IUPAC name is 4,6-bis(2-nitrophenyl)-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name4,6-bis(2-nitrophenyl)-9H-pyrido[2,3-b]indole
PubChem CID87140592
Molecular FormulaC23H14N4O4
Molecular Weight410.39 g/mol
Exact Mass410.10
IUPAC Name4,6-bis(2-nitrophenyl)-9H-pyrido[2,3-b]indole
SMILESO=[N+]([O-])c1ccccc1-c1ccc2[nH]c3nccc(-c4ccccc4[N+](=O)[O-])c3c2c1
InChIInChI=1S/C23H14N4O4/c28-26(29)20-7-3-1-5-15(20)14-9-10-19-18(13-14)22-17(11-12-24-23(22)25-19)16-6-2-4-8-21(16)27(30)31/h1-13H,(H,24,25)
InChIKeyHZRZUMDSQUXEGY-UHFFFAOYSA-N
XLogP5.87
TPSA114.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.39
LogP ≤ 55.87
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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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(2-nitrophenyl)-9H-pyrido[2,3-b]indole?
The IUPAC name of 4,6-bis(2-nitrophenyl)-9H-pyrido[2,3-b]indole (CID 87140592) is 4,6-bis(2-nitrophenyl)-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 4,6-bis(2-nitrophenyl)-9H-pyrido[2,3-b]indole?
The canonical SMILES for 4,6-bis(2-nitrophenyl)-9H-pyrido[2,3-b]indole is O=[N+]([O-])c1ccccc1-c1ccc2[nH]c3nccc(-c4ccccc4[N+](=O)[O-])c3c2c1.
What is the InChIKey of 4,6-bis(2-nitrophenyl)-9H-pyrido[2,3-b]indole?
The InChIKey is HZRZUMDSQUXEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N4O4/c28-26(29)20-7-3-1-5-15(20)14-9-10-19-18(13-14)22-17(11-12-24-23(22)25-19)16-6-2-4-8-21(16)27(30)31/h1-13H,(H,24,25).
What are the key properties of 4,6-bis(2-nitrophenyl)-9H-pyrido[2,3-b]indole?
4,6-bis(2-nitrophenyl)-9H-pyrido[2,3-b]indole has a molecular weight of 410.39 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(2-nitrophenyl)-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 87140592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).