2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)-1H-indole

C22H16N4 — CID 44614542

IUPAC2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)-1H-indole
SMILESc1ccc(-c2ccc(-c3[nH]c4ccccc4c3-n3cncn3)cc2)cc1
InChIInChI=1S/C22H16N4/c1-2-6-16(7-3-1)17-10-12-18(13-11-17)21-22(26-15-23-14-24-26)19-8-4-5-9-20(19)25-21/h1-15,25H
InChIKeyLZUXMPHQLVAWBZ-UHFFFAOYSA-N
MW336.40 g/mol
LogP5.08
Rot. Bonds3

About 2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)-1H-indole

2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)-1H-indole (PubChem CID 44614542) has the molecular formula C22H16N4 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)-1H-indole.

Molecular Properties

Compound Name2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)-1H-indole
PubChem CID44614542
Molecular FormulaC22H16N4
Molecular Weight336.40 g/mol
Exact Mass336.14
IUPAC Name2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)-1H-indole
SMILESc1ccc(-c2ccc(-c3[nH]c4ccccc4c3-n3cncn3)cc2)cc1
InChIInChI=1S/C22H16N4/c1-2-6-16(7-3-1)17-10-12-18(13-11-17)21-22(26-15-23-14-24-26)19-8-4-5-9-20(19)25-21/h1-15,25H
InChIKeyLZUXMPHQLVAWBZ-UHFFFAOYSA-N
XLogP5.08
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.40
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)-1H-indole?
The IUPAC name of 2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)-1H-indole (CID 44614542) is 2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)-1H-indole.
What is the SMILES notation for 2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)-1H-indole?
The canonical SMILES for 2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)-1H-indole is c1ccc(-c2ccc(-c3[nH]c4ccccc4c3-n3cncn3)cc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)-1H-indole?
The InChIKey is LZUXMPHQLVAWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4/c1-2-6-16(7-3-1)17-10-12-18(13-11-17)21-22(26-15-23-14-24-26)19-8-4-5-9-20(19)25-21/h1-15,25H.
What are the key properties of 2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)-1H-indole?
2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)-1H-indole has a molecular weight of 336.40 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)-1H-indole is sourced from PubChem (CID 44614542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).