6-ethenyl-1-tritylindazole

C28H22N2 — CID 165138891

IUPAC6-ethenyl-1-tritylindazole
SMILESC=Cc1ccc2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1
InChIInChI=1S/C28H22N2/c1-2-22-18-19-23-21-29-30(27(23)20-22)28(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h2-21H,1H2
InChIKeyOQNUYZPVRKQBPB-UHFFFAOYSA-N
MW386.50 g/mol
LogP6.52
Rot. Bonds5

About 6-ethenyl-1-tritylindazole

6-ethenyl-1-tritylindazole (PubChem CID 165138891) has the molecular formula C28H22N2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 6-ethenyl-1-tritylindazole.

Molecular Properties

Compound Name6-ethenyl-1-tritylindazole
PubChem CID165138891
Molecular FormulaC28H22N2
Molecular Weight386.50 g/mol
Exact Mass386.18
IUPAC Name6-ethenyl-1-tritylindazole
SMILESC=Cc1ccc2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1
InChIInChI=1S/C28H22N2/c1-2-22-18-19-23-21-29-30(27(23)20-22)28(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h2-21H,1H2
InChIKeyOQNUYZPVRKQBPB-UHFFFAOYSA-N
XLogP6.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-1-tritylindazole?
The IUPAC name of 6-ethenyl-1-tritylindazole (CID 165138891) is 6-ethenyl-1-tritylindazole.
What is the SMILES notation for 6-ethenyl-1-tritylindazole?
The canonical SMILES for 6-ethenyl-1-tritylindazole is C=Cc1ccc2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1.
What is the InChIKey of 6-ethenyl-1-tritylindazole?
The InChIKey is OQNUYZPVRKQBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2/c1-2-22-18-19-23-21-29-30(27(23)20-22)28(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h2-21H,1H2.
What are the key properties of 6-ethenyl-1-tritylindazole?
6-ethenyl-1-tritylindazole has a molecular weight of 386.50 g/mol, XLogP of 6.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-1-tritylindazole is sourced from PubChem (CID 165138891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).