6-fluoro-3-[2-(2-fluorophenyl)ethenyl]-1-tritylindazol-5-amine

C34H25F2N3 — CID 68927534

IUPAC6-fluoro-3-[2-(2-fluorophenyl)ethenyl]-1-tritylindazol-5-amine
SMILESNc1cc2c(C=Cc3ccccc3F)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1F
InChIInChI=1S/C34H25F2N3/c35-29-19-11-10-12-24(29)20-21-32-28-22-31(37)30(36)23-33(28)39(38-32)34(25-13-4-1-5-14-25,26-15-6-2-7-16-26)27-17-8-3-9-18-27/h1-23H,37H2
InChIKeyRUUPIYIUEVIGSS-UHFFFAOYSA-N
MW513.59 g/mol
LogP7.91
Rot. Bonds6

About 6-fluoro-3-[2-(2-fluorophenyl)ethenyl]-1-tritylindazol-5-amine

6-fluoro-3-[2-(2-fluorophenyl)ethenyl]-1-tritylindazol-5-amine (PubChem CID 68927534) has the molecular formula C34H25F2N3 and a molecular weight of 513.59 g/mol. Its IUPAC name is 6-fluoro-3-[2-(2-fluorophenyl)ethenyl]-1-tritylindazol-5-amine.

Molecular Properties

Compound Name6-fluoro-3-[2-(2-fluorophenyl)ethenyl]-1-tritylindazol-5-amine
PubChem CID68927534
Molecular FormulaC34H25F2N3
Molecular Weight513.59 g/mol
Exact Mass513.20
IUPAC Name6-fluoro-3-[2-(2-fluorophenyl)ethenyl]-1-tritylindazol-5-amine
SMILESNc1cc2c(C=Cc3ccccc3F)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1F
InChIInChI=1S/C34H25F2N3/c35-29-19-11-10-12-24(29)20-21-32-28-22-31(37)30(36)23-33(28)39(38-32)34(25-13-4-1-5-14-25,26-15-6-2-7-16-26)27-17-8-3-9-18-27/h1-23H,37H2
InChIKeyRUUPIYIUEVIGSS-UHFFFAOYSA-N
XLogP7.91
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.59
LogP ≤ 57.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[2-(2-fluorophenyl)ethenyl]-1-tritylindazol-5-amine?
The IUPAC name of 6-fluoro-3-[2-(2-fluorophenyl)ethenyl]-1-tritylindazol-5-amine (CID 68927534) is 6-fluoro-3-[2-(2-fluorophenyl)ethenyl]-1-tritylindazol-5-amine.
What is the SMILES notation for 6-fluoro-3-[2-(2-fluorophenyl)ethenyl]-1-tritylindazol-5-amine?
The canonical SMILES for 6-fluoro-3-[2-(2-fluorophenyl)ethenyl]-1-tritylindazol-5-amine is Nc1cc2c(C=Cc3ccccc3F)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1F.
What is the InChIKey of 6-fluoro-3-[2-(2-fluorophenyl)ethenyl]-1-tritylindazol-5-amine?
The InChIKey is RUUPIYIUEVIGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25F2N3/c35-29-19-11-10-12-24(29)20-21-32-28-22-31(37)30(36)23-33(28)39(38-32)34(25-13-4-1-5-14-25,26-15-6-2-7-16-26)27-17-8-3-9-18-27/h1-23H,37H2.
What are the key properties of 6-fluoro-3-[2-(2-fluorophenyl)ethenyl]-1-tritylindazol-5-amine?
6-fluoro-3-[2-(2-fluorophenyl)ethenyl]-1-tritylindazol-5-amine has a molecular weight of 513.59 g/mol, XLogP of 7.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[2-(2-fluorophenyl)ethenyl]-1-tritylindazol-5-amine is sourced from PubChem (CID 68927534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).