3-[(4-nitrophenyl)diazenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-ol

C22H15F3N4O3 — CID 5244143

IUPAC3-[(4-nitrophenyl)diazenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-ol
SMILESO=[N+]([O-])c1ccc(/N=N/c2c(O)n(Cc3cccc(C(F)(F)F)c3)c3ccccc23)cc1
InChIInChI=1S/C22H15F3N4O3/c23-22(24,25)15-5-3-4-14(12-15)13-28-19-7-2-1-6-18(19)20(21(28)30)27-26-16-8-10-17(11-9-16)29(31)32/h1-12,30H,13H2/b27-26+
InChIKeyMFKCIEVXOQSAHT-CYYJNZCTSA-N
MW440.38 g/mol
LogP6.74
Rot. Bonds5

About 3-[(4-nitrophenyl)diazenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-ol

3-[(4-nitrophenyl)diazenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-ol (PubChem CID 5244143) has the molecular formula C22H15F3N4O3 and a molecular weight of 440.38 g/mol. Its IUPAC name is 3-[(4-nitrophenyl)diazenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-ol.

Molecular Properties

Compound Name3-[(4-nitrophenyl)diazenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-ol
PubChem CID5244143
Molecular FormulaC22H15F3N4O3
Molecular Weight440.38 g/mol
Exact Mass440.11
IUPAC Name3-[(4-nitrophenyl)diazenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-ol
SMILESO=[N+]([O-])c1ccc(/N=N/c2c(O)n(Cc3cccc(C(F)(F)F)c3)c3ccccc23)cc1
InChIInChI=1S/C22H15F3N4O3/c23-22(24,25)15-5-3-4-14(12-15)13-28-19-7-2-1-6-18(19)20(21(28)30)27-26-16-8-10-17(11-9-16)29(31)32/h1-12,30H,13H2/b27-26+
InChIKeyMFKCIEVXOQSAHT-CYYJNZCTSA-N
XLogP6.74
TPSA93.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.38
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 3-[(4-nitrophenyl)diazenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-ol 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

N-[2-hydroxy-1-[(3-nitrophenyl)methyl]indol-3-yl]iminobenzamide
CID 1016399
N-(1-benzyl-2-hydroxyindol-3-yl)imino-3-nitrobenzamide
CID 1098392
1-ethyl-3-[(3-nitrophenyl)diazenyl]indol-2-ol
CID 3899807
N-(1-benzyl-2-hydroxyindol-3-yl)imino-2-nitrobenzamide
CID 1098391
1-(4-nitrophenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 2838112
2-(4-nitrophenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 2533156
N-(1-benzyl-2-hydroxyindol-3-yl)imino-4-chloro-3-nitrobenzamide
CID 3702673
N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]imino-3-nitrobenzamide
CID 137172295
1-benzyl-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol
CID 4989962
3-bromo-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole
CID 59066261
N-(1-ethyl-2-hydroxyindol-3-yl)imino-3,5-dinitrobenzamide
CID 3522953
2-[2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid
CID 68956846

Frequently Asked Questions

What is the IUPAC name of 3-[(4-nitrophenyl)diazenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-ol?
The IUPAC name of 3-[(4-nitrophenyl)diazenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-ol (CID 5244143) is 3-[(4-nitrophenyl)diazenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-ol.
What is the SMILES notation for 3-[(4-nitrophenyl)diazenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-ol?
The canonical SMILES for 3-[(4-nitrophenyl)diazenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-ol is O=[N+]([O-])c1ccc(/N=N/c2c(O)n(Cc3cccc(C(F)(F)F)c3)c3ccccc23)cc1.
What is the InChIKey of 3-[(4-nitrophenyl)diazenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-ol?
The InChIKey is MFKCIEVXOQSAHT-CYYJNZCTSA-N. The full InChI is InChI=1S/C22H15F3N4O3/c23-22(24,25)15-5-3-4-14(12-15)13-28-19-7-2-1-6-18(19)20(21(28)30)27-26-16-8-10-17(11-9-16)29(31)32/h1-12,30H,13H2/b27-26+.
What are the key properties of 3-[(4-nitrophenyl)diazenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-ol?
3-[(4-nitrophenyl)diazenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-ol has a molecular weight of 440.38 g/mol, XLogP of 6.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-nitrophenyl)diazenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-ol is sourced from PubChem (CID 5244143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).