3,4,6-triphenyl-1H-indazole-5-carbonitrile

C26H17N3 — CID 134132348

IUPAC3,4,6-triphenyl-1H-indazole-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc2[nH]nc(-c3ccccc3)c2c1-c1ccccc1
InChIInChI=1S/C26H17N3/c27-17-22-21(18-10-4-1-5-11-18)16-23-25(24(22)19-12-6-2-7-13-19)26(29-28-23)20-14-8-3-9-15-20/h1-16H,(H,28,29)
InChIKeyQJCLGXLWPYVAGP-UHFFFAOYSA-N
MW371.44 g/mol
LogP6.44
Rot. Bonds3

About 3,4,6-triphenyl-1H-indazole-5-carbonitrile

3,4,6-triphenyl-1H-indazole-5-carbonitrile (PubChem CID 134132348) has the molecular formula C26H17N3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3,4,6-triphenyl-1H-indazole-5-carbonitrile.

Molecular Properties

Compound Name3,4,6-triphenyl-1H-indazole-5-carbonitrile
PubChem CID134132348
Molecular FormulaC26H17N3
Molecular Weight371.44 g/mol
Exact Mass371.14
IUPAC Name3,4,6-triphenyl-1H-indazole-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc2[nH]nc(-c3ccccc3)c2c1-c1ccccc1
InChIInChI=1S/C26H17N3/c27-17-22-21(18-10-4-1-5-11-18)16-23-25(24(22)19-12-6-2-7-13-19)26(29-28-23)20-14-8-3-9-15-20/h1-16H,(H,28,29)
InChIKeyQJCLGXLWPYVAGP-UHFFFAOYSA-N
XLogP6.44
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,6-triphenyl-1H-indazole-5-carbonitrile?
The IUPAC name of 3,4,6-triphenyl-1H-indazole-5-carbonitrile (CID 134132348) is 3,4,6-triphenyl-1H-indazole-5-carbonitrile.
What is the SMILES notation for 3,4,6-triphenyl-1H-indazole-5-carbonitrile?
The canonical SMILES for 3,4,6-triphenyl-1H-indazole-5-carbonitrile is N#Cc1c(-c2ccccc2)cc2[nH]nc(-c3ccccc3)c2c1-c1ccccc1.
What is the InChIKey of 3,4,6-triphenyl-1H-indazole-5-carbonitrile?
The InChIKey is QJCLGXLWPYVAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N3/c27-17-22-21(18-10-4-1-5-11-18)16-23-25(24(22)19-12-6-2-7-13-19)26(29-28-23)20-14-8-3-9-15-20/h1-16H,(H,28,29).
What are the key properties of 3,4,6-triphenyl-1H-indazole-5-carbonitrile?
3,4,6-triphenyl-1H-indazole-5-carbonitrile has a molecular weight of 371.44 g/mol, XLogP of 6.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-triphenyl-1H-indazole-5-carbonitrile is sourced from PubChem (CID 134132348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).