7-fluoro-3-(3-fluorophenyl)-1-tritylindazole-5-carboxylic acid

C33H22F2N2O2 — CID 22260752

IUPAC7-fluoro-3-(3-fluorophenyl)-1-tritylindazole-5-carboxylic acid
SMILESO=C(O)c1cc(F)c2c(c1)c(-c1cccc(F)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H22F2N2O2/c34-27-18-10-11-22(19-27)30-28-20-23(32(38)39)21-29(35)31(28)37(36-30)33(24-12-4-1-5-13-24,25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-21H,(H,38,39)
InChIKeyXBDXZUIDCDNRGU-UHFFFAOYSA-N
MW516.55 g/mol
LogP7.52
Rot. Bonds6

About 7-fluoro-3-(3-fluorophenyl)-1-tritylindazole-5-carboxylic acid

7-fluoro-3-(3-fluorophenyl)-1-tritylindazole-5-carboxylic acid (PubChem CID 22260752) has the molecular formula C33H22F2N2O2 and a molecular weight of 516.55 g/mol. Its IUPAC name is 7-fluoro-3-(3-fluorophenyl)-1-tritylindazole-5-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-3-(3-fluorophenyl)-1-tritylindazole-5-carboxylic acid
PubChem CID22260752
Molecular FormulaC33H22F2N2O2
Molecular Weight516.55 g/mol
Exact Mass516.16
IUPAC Name7-fluoro-3-(3-fluorophenyl)-1-tritylindazole-5-carboxylic acid
SMILESO=C(O)c1cc(F)c2c(c1)c(-c1cccc(F)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H22F2N2O2/c34-27-18-10-11-22(19-27)30-28-20-23(32(38)39)21-29(35)31(28)37(36-30)33(24-12-4-1-5-13-24,25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-21H,(H,38,39)
InChIKeyXBDXZUIDCDNRGU-UHFFFAOYSA-N
XLogP7.52
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.55
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 7-fluoro-3-(3-fluorophenyl)-1-tritylindazole-5-carboxylic acid 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

7-fluoro-3-naphthalen-2-yl-1-tritylindazole-5-carboxylic acid
CID 22260628
3-(3-fluorophenyl)-1-tritylpyrazolo[4,3-c]pyridine
CID 68926980
3-(3-fluorophenyl)-1-trityl-5H-pyrazolo[4,3-c]pyridin-4-one
CID 135829582
N-cyclopropyl-3-ethenyl-7-fluoro-1-tritylindazole-5-carboxamide
CID 68930689
6-fluoro-3-[2-(3-fluorophenyl)ethenyl]-1-tritylindazole-5-carboxylic acid
CID 68930317
4-fluoro-3-(3-fluorophenyl)benzoic acid
CID 46312321
2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylic acid
CID 5127746
3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 69195463
4-[3-(3-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-1-yl]benzoic acid
CID 3965962
3-[1-(2,6-dichlorobenzoyl)-6-fluoroindazol-3-yl]benzoic acid
CID 140694937
tert-butyl N-[[3-[3-(3-fluorophenyl)-1-tritylpyrazolo[4,3-b]pyridin-5-yl]-1H-1,2,4-triazol-5-yl]methyl]-N-methylcarbamate
CID 68932358
3-ethenyl-6-fluoro-1-tritylindazole-5-carboxylic acid
CID 23070204

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(3-fluorophenyl)-1-tritylindazole-5-carboxylic acid?
The IUPAC name of 7-fluoro-3-(3-fluorophenyl)-1-tritylindazole-5-carboxylic acid (CID 22260752) is 7-fluoro-3-(3-fluorophenyl)-1-tritylindazole-5-carboxylic acid.
What is the SMILES notation for 7-fluoro-3-(3-fluorophenyl)-1-tritylindazole-5-carboxylic acid?
The canonical SMILES for 7-fluoro-3-(3-fluorophenyl)-1-tritylindazole-5-carboxylic acid is O=C(O)c1cc(F)c2c(c1)c(-c1cccc(F)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 7-fluoro-3-(3-fluorophenyl)-1-tritylindazole-5-carboxylic acid?
The InChIKey is XBDXZUIDCDNRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22F2N2O2/c34-27-18-10-11-22(19-27)30-28-20-23(32(38)39)21-29(35)31(28)37(36-30)33(24-12-4-1-5-13-24,25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-21H,(H,38,39).
What are the key properties of 7-fluoro-3-(3-fluorophenyl)-1-tritylindazole-5-carboxylic acid?
7-fluoro-3-(3-fluorophenyl)-1-tritylindazole-5-carboxylic acid has a molecular weight of 516.55 g/mol, XLogP of 7.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(3-fluorophenyl)-1-tritylindazole-5-carboxylic acid is sourced from PubChem (CID 22260752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).