7-fluoro-1-tritylindazol-6-amine

C26H20FN3 — CID 135242117

IUPAC7-fluoro-1-tritylindazol-6-amine
SMILESNc1ccc2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1F
InChIInChI=1S/C26H20FN3/c27-24-23(28)17-16-19-18-29-30(25(19)24)26(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-18H,28H2
InChIKeyGKNLOUUBWAQUMR-UHFFFAOYSA-N
MW393.47 g/mol
LogP5.60
Rot. Bonds4

About 7-fluoro-1-tritylindazol-6-amine

7-fluoro-1-tritylindazol-6-amine (PubChem CID 135242117) has the molecular formula C26H20FN3 and a molecular weight of 393.47 g/mol. Its IUPAC name is 7-fluoro-1-tritylindazol-6-amine.

Molecular Properties

Compound Name7-fluoro-1-tritylindazol-6-amine
PubChem CID135242117
Molecular FormulaC26H20FN3
Molecular Weight393.47 g/mol
Exact Mass393.16
IUPAC Name7-fluoro-1-tritylindazol-6-amine
SMILESNc1ccc2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1F
InChIInChI=1S/C26H20FN3/c27-24-23(28)17-16-19-18-29-30(25(19)24)26(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-18H,28H2
InChIKeyGKNLOUUBWAQUMR-UHFFFAOYSA-N
XLogP5.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.47
LogP ≤ 55.60
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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Related Compounds

5-fluoro-1-tritylpyrazolo[3,4-b]pyridine
CID 141346656
1-tritylpyrazolo[3,4-d]pyrimidine
CID 123834487
6-ethenyl-1-tritylindazole
CID 165138891
5-(3,5-difluorophenyl)sulfonyl-1-tritylindazole
CID 141209515
methyl 1-tritylindazole-6-carboxylate
CID 172754699
ethyl 1-tritylindazole-5-carboxylate
CID 141079156
methyl 1-tritylindazole-5-carboxylate
CID 141058528
6-bromo-4-oxido-1-tritylpyrazolo[4,5-b]pyridin-4-ium
CID 134327572
5-iodo-2-trityl-1,2,4-triazole-3-carboxylic acid
CID 151203914
1-phenyl-5-(trifluoromethyl)pyrazol-4-amine
CID 42609359
6-fluoro-3-[2-(2-fluorophenyl)ethenyl]-1-tritylindazol-5-amine
CID 68927534
1-benzyl-6-fluoroindazole
CID 83414179

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-tritylindazol-6-amine?
The IUPAC name of 7-fluoro-1-tritylindazol-6-amine (CID 135242117) is 7-fluoro-1-tritylindazol-6-amine.
What is the SMILES notation for 7-fluoro-1-tritylindazol-6-amine?
The canonical SMILES for 7-fluoro-1-tritylindazol-6-amine is Nc1ccc2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1F.
What is the InChIKey of 7-fluoro-1-tritylindazol-6-amine?
The InChIKey is GKNLOUUBWAQUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3/c27-24-23(28)17-16-19-18-29-30(25(19)24)26(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-18H,28H2.
What are the key properties of 7-fluoro-1-tritylindazol-6-amine?
7-fluoro-1-tritylindazol-6-amine has a molecular weight of 393.47 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-tritylindazol-6-amine is sourced from PubChem (CID 135242117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).