2-(1-tritylindazol-4-yl)oxybenzoic acid

C33H24N2O3 — CID 67226752

IUPAC2-(1-tritylindazol-4-yl)oxybenzoic acid
SMILESO=C(O)c1ccccc1Oc1cccc2c1cnn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H24N2O3/c36-32(37)27-19-10-11-21-30(27)38-31-22-12-20-29-28(31)23-34-35(29)33(24-13-4-1-5-14-24,25-15-6-2-7-16-25)26-17-8-3-9-18-26/h1-23H,(H,36,37)
InChIKeyOHTPHSTUDZZBMS-UHFFFAOYSA-N
MW496.57 g/mol
LogP7.37
Rot. Bonds7

About 2-(1-tritylindazol-4-yl)oxybenzoic acid

2-(1-tritylindazol-4-yl)oxybenzoic acid (PubChem CID 67226752) has the molecular formula C33H24N2O3 and a molecular weight of 496.57 g/mol. Its IUPAC name is 2-(1-tritylindazol-4-yl)oxybenzoic acid.

Molecular Properties

Compound Name2-(1-tritylindazol-4-yl)oxybenzoic acid
PubChem CID67226752
Molecular FormulaC33H24N2O3
Molecular Weight496.57 g/mol
Exact Mass496.18
IUPAC Name2-(1-tritylindazol-4-yl)oxybenzoic acid
SMILESO=C(O)c1ccccc1Oc1cccc2c1cnn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H24N2O3/c36-32(37)27-19-10-11-21-30(27)38-31-22-12-20-29-28(31)23-34-35(29)33(24-13-4-1-5-14-24,25-15-6-2-7-16-25)26-17-8-3-9-18-26/h1-23H,(H,36,37)
InChIKeyOHTPHSTUDZZBMS-UHFFFAOYSA-N
XLogP7.37
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.57
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2,3-bis(2-carboxyphenoxy)phenoxy]benzoic acid
CID 68804426
2-(2-carboxyphenoxy)benzoic acid;ethene
CID 67642848
benzoic acid;2-phenoxybenzoic acid
CID 160712085
2-(2-methoxycarbonylphenoxy)benzoic acid
CID 166513979
2-[(4-amino-3-pyridinyl)oxy]benzoic acid
CID 22164896
methyl 1-tritylindazole-5-carboxylate
CID 141058528
2-[2-(hydroxymethyl)phenoxy]benzoic acid
CID 63653260
1-(4-fluorophenyl)indazole-4-carboxylic acid
CID 58138774
3-(2-carbamoylphenoxy)pyridine-4-carboxylic acid
CID 105062501
N-(1H-pyrazol-4-yl)-1-tritylindazole-3-carboxamide
CID 71259599
3-(3-carboxy-2-phenylphenoxy)-2-phenylbenzoic acid
CID 142659865
2-(2-methylquinolin-4-yl)oxybenzoic acid
CID 61395430

Frequently Asked Questions

What is the IUPAC name of 2-(1-tritylindazol-4-yl)oxybenzoic acid?
The IUPAC name of 2-(1-tritylindazol-4-yl)oxybenzoic acid (CID 67226752) is 2-(1-tritylindazol-4-yl)oxybenzoic acid.
What is the SMILES notation for 2-(1-tritylindazol-4-yl)oxybenzoic acid?
The canonical SMILES for 2-(1-tritylindazol-4-yl)oxybenzoic acid is O=C(O)c1ccccc1Oc1cccc2c1cnn2C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(1-tritylindazol-4-yl)oxybenzoic acid?
The InChIKey is OHTPHSTUDZZBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N2O3/c36-32(37)27-19-10-11-21-30(27)38-31-22-12-20-29-28(31)23-34-35(29)33(24-13-4-1-5-14-24,25-15-6-2-7-16-25)26-17-8-3-9-18-26/h1-23H,(H,36,37).
What are the key properties of 2-(1-tritylindazol-4-yl)oxybenzoic acid?
2-(1-tritylindazol-4-yl)oxybenzoic acid has a molecular weight of 496.57 g/mol, XLogP of 7.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tritylindazol-4-yl)oxybenzoic acid is sourced from PubChem (CID 67226752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).