2-(1H-indol-2-yl)-4-[(4-nitrophenyl)diazenyl]phenol

C20H14N4O3 — CID 136771287

IUPAC2-(1H-indol-2-yl)-4-[(4-nitrophenyl)diazenyl]phenol
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccc(O)c(-c3cc4ccccc4[nH]3)c2)cc1
InChIInChI=1S/C20H14N4O3/c25-20-10-7-15(23-22-14-5-8-16(9-6-14)24(26)27)12-17(20)19-11-13-3-1-2-4-18(13)21-19/h1-12,21,25H/b23-22+
InChIKeyLHKIIPDEVUKIRO-GHVJWSGMSA-N
MW358.36 g/mol
LogP5.86
Rot. Bonds4

About 2-(1H-indol-2-yl)-4-[(4-nitrophenyl)diazenyl]phenol

2-(1H-indol-2-yl)-4-[(4-nitrophenyl)diazenyl]phenol (PubChem CID 136771287) has the molecular formula C20H14N4O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is 2-(1H-indol-2-yl)-4-[(4-nitrophenyl)diazenyl]phenol.

Molecular Properties

Compound Name2-(1H-indol-2-yl)-4-[(4-nitrophenyl)diazenyl]phenol
PubChem CID136771287
Molecular FormulaC20H14N4O3
Molecular Weight358.36 g/mol
Exact Mass358.11
IUPAC Name2-(1H-indol-2-yl)-4-[(4-nitrophenyl)diazenyl]phenol
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccc(O)c(-c3cc4ccccc4[nH]3)c2)cc1
InChIInChI=1S/C20H14N4O3/c25-20-10-7-15(23-22-14-5-8-16(9-6-14)24(26)27)12-17(20)19-11-13-3-1-2-4-18(13)21-19/h1-12,21,25H/b23-22+
InChIKeyLHKIIPDEVUKIRO-GHVJWSGMSA-N
XLogP5.86
TPSA103.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.36
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(1H-indol-2-yl)-4-[(4-nitrophenyl)diazenyl]phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-2-yl)-4-[(4-nitrophenyl)diazenyl]phenol?
The IUPAC name of 2-(1H-indol-2-yl)-4-[(4-nitrophenyl)diazenyl]phenol (CID 136771287) is 2-(1H-indol-2-yl)-4-[(4-nitrophenyl)diazenyl]phenol.
What is the SMILES notation for 2-(1H-indol-2-yl)-4-[(4-nitrophenyl)diazenyl]phenol?
The canonical SMILES for 2-(1H-indol-2-yl)-4-[(4-nitrophenyl)diazenyl]phenol is O=[N+]([O-])c1ccc(/N=N/c2ccc(O)c(-c3cc4ccccc4[nH]3)c2)cc1.
What is the InChIKey of 2-(1H-indol-2-yl)-4-[(4-nitrophenyl)diazenyl]phenol?
The InChIKey is LHKIIPDEVUKIRO-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H14N4O3/c25-20-10-7-15(23-22-14-5-8-16(9-6-14)24(26)27)12-17(20)19-11-13-3-1-2-4-18(13)21-19/h1-12,21,25H/b23-22+.
What are the key properties of 2-(1H-indol-2-yl)-4-[(4-nitrophenyl)diazenyl]phenol?
2-(1H-indol-2-yl)-4-[(4-nitrophenyl)diazenyl]phenol has a molecular weight of 358.36 g/mol, XLogP of 5.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-2-yl)-4-[(4-nitrophenyl)diazenyl]phenol is sourced from PubChem (CID 136771287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).