2,3,7-triphenyl-6-(2-phenylphenyl)imidazo[1,2-b][1,2,4]triazine

C35H24N4 — CID 71430486

IUPAC2,3,7-triphenyl-6-(2-phenylphenyl)imidazo[1,2-b][1,2,4]triazine
SMILESc1ccc(-c2ccccc2-c2nc3nc(-c4ccccc4)c(-c4ccccc4)nn3c2-c2ccccc2)cc1
InChIInChI=1S/C35H24N4/c1-5-15-25(16-6-1)29-23-13-14-24-30(29)33-34(28-21-11-4-12-22-28)39-35(37-33)36-31(26-17-7-2-8-18-26)32(38-39)27-19-9-3-10-20-27/h1-24H
InChIKeyLXKDJAMARYFTDY-UHFFFAOYSA-N
MW500.61 g/mol
LogP8.46
Rot. Bonds5

About 2,3,7-triphenyl-6-(2-phenylphenyl)imidazo[1,2-b][1,2,4]triazine

2,3,7-triphenyl-6-(2-phenylphenyl)imidazo[1,2-b][1,2,4]triazine (PubChem CID 71430486) has the molecular formula C35H24N4 and a molecular weight of 500.61 g/mol. Its IUPAC name is 2,3,7-triphenyl-6-(2-phenylphenyl)imidazo[1,2-b][1,2,4]triazine.

Molecular Properties

Compound Name2,3,7-triphenyl-6-(2-phenylphenyl)imidazo[1,2-b][1,2,4]triazine
PubChem CID71430486
Molecular FormulaC35H24N4
Molecular Weight500.61 g/mol
Exact Mass500.20
IUPAC Name2,3,7-triphenyl-6-(2-phenylphenyl)imidazo[1,2-b][1,2,4]triazine
SMILESc1ccc(-c2ccccc2-c2nc3nc(-c4ccccc4)c(-c4ccccc4)nn3c2-c2ccccc2)cc1
InChIInChI=1S/C35H24N4/c1-5-15-25(16-6-1)29-23-13-14-24-30(29)33-34(28-21-11-4-12-22-28)39-35(37-33)36-31(26-17-7-2-8-18-26)32(38-39)27-19-9-3-10-20-27/h1-24H
InChIKeyLXKDJAMARYFTDY-UHFFFAOYSA-N
XLogP8.46
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.61
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,7-triphenyl-6-(2-phenylphenyl)imidazo[1,2-b][1,2,4]triazine?
The IUPAC name of 2,3,7-triphenyl-6-(2-phenylphenyl)imidazo[1,2-b][1,2,4]triazine (CID 71430486) is 2,3,7-triphenyl-6-(2-phenylphenyl)imidazo[1,2-b][1,2,4]triazine.
What is the SMILES notation for 2,3,7-triphenyl-6-(2-phenylphenyl)imidazo[1,2-b][1,2,4]triazine?
The canonical SMILES for 2,3,7-triphenyl-6-(2-phenylphenyl)imidazo[1,2-b][1,2,4]triazine is c1ccc(-c2ccccc2-c2nc3nc(-c4ccccc4)c(-c4ccccc4)nn3c2-c2ccccc2)cc1.
What is the InChIKey of 2,3,7-triphenyl-6-(2-phenylphenyl)imidazo[1,2-b][1,2,4]triazine?
The InChIKey is LXKDJAMARYFTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N4/c1-5-15-25(16-6-1)29-23-13-14-24-30(29)33-34(28-21-11-4-12-22-28)39-35(37-33)36-31(26-17-7-2-8-18-26)32(38-39)27-19-9-3-10-20-27/h1-24H.
What are the key properties of 2,3,7-triphenyl-6-(2-phenylphenyl)imidazo[1,2-b][1,2,4]triazine?
2,3,7-triphenyl-6-(2-phenylphenyl)imidazo[1,2-b][1,2,4]triazine has a molecular weight of 500.61 g/mol, XLogP of 8.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7-triphenyl-6-(2-phenylphenyl)imidazo[1,2-b][1,2,4]triazine is sourced from PubChem (CID 71430486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).