4-phenyl-6-(1-phenyldibenzoselenophen-2-yl)-5-(2-phenylphenyl)triazine

C39H25N3Se — CID 166133463

IUPAC4-phenyl-6-(1-phenyldibenzoselenophen-2-yl)-5-(2-phenylphenyl)triazine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)nnnc2-c2ccc3[se]c4ccccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C39H25N3Se/c1-4-14-26(15-5-1)29-20-10-11-21-30(29)37-38(28-18-8-3-9-19-28)40-42-41-39(37)32-24-25-34-36(31-22-12-13-23-33(31)43-34)35(32)27-16-6-2-7-17-27/h1-25H
InChIKeyROAXYKQOXQEAPE-UHFFFAOYSA-N
MW614.61 g/mol
LogP9.57
Rot. Bonds5

About 4-phenyl-6-(1-phenyldibenzoselenophen-2-yl)-5-(2-phenylphenyl)triazine

4-phenyl-6-(1-phenyldibenzoselenophen-2-yl)-5-(2-phenylphenyl)triazine (PubChem CID 166133463) has the molecular formula C39H25N3Se and a molecular weight of 614.61 g/mol. Its IUPAC name is 4-phenyl-6-(1-phenyldibenzoselenophen-2-yl)-5-(2-phenylphenyl)triazine.

Molecular Properties

Compound Name4-phenyl-6-(1-phenyldibenzoselenophen-2-yl)-5-(2-phenylphenyl)triazine
PubChem CID166133463
Molecular FormulaC39H25N3Se
Molecular Weight614.61 g/mol
Exact Mass615.12
IUPAC Name4-phenyl-6-(1-phenyldibenzoselenophen-2-yl)-5-(2-phenylphenyl)triazine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)nnnc2-c2ccc3[se]c4ccccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C39H25N3Se/c1-4-14-26(15-5-1)29-20-10-11-21-30(29)37-38(28-18-8-3-9-19-28)40-42-41-39(37)32-24-25-34-36(31-22-12-13-23-33(31)43-34)35(32)27-16-6-2-7-17-27/h1-25H
InChIKeyROAXYKQOXQEAPE-UHFFFAOYSA-N
XLogP9.57
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.61
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-phenyl-6-(1-phenyldibenzoselenophen-2-yl)-5-(2-phenylphenyl)triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-(1-phenyldibenzoselenophen-2-yl)-5-(2-phenylphenyl)triazine?
The IUPAC name of 4-phenyl-6-(1-phenyldibenzoselenophen-2-yl)-5-(2-phenylphenyl)triazine (CID 166133463) is 4-phenyl-6-(1-phenyldibenzoselenophen-2-yl)-5-(2-phenylphenyl)triazine.
What is the SMILES notation for 4-phenyl-6-(1-phenyldibenzoselenophen-2-yl)-5-(2-phenylphenyl)triazine?
The canonical SMILES for 4-phenyl-6-(1-phenyldibenzoselenophen-2-yl)-5-(2-phenylphenyl)triazine is c1ccc(-c2ccccc2-c2c(-c3ccccc3)nnnc2-c2ccc3[se]c4ccccc4c3c2-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-6-(1-phenyldibenzoselenophen-2-yl)-5-(2-phenylphenyl)triazine?
The InChIKey is ROAXYKQOXQEAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3Se/c1-4-14-26(15-5-1)29-20-10-11-21-30(29)37-38(28-18-8-3-9-19-28)40-42-41-39(37)32-24-25-34-36(31-22-12-13-23-33(31)43-34)35(32)27-16-6-2-7-17-27/h1-25H.
What are the key properties of 4-phenyl-6-(1-phenyldibenzoselenophen-2-yl)-5-(2-phenylphenyl)triazine?
4-phenyl-6-(1-phenyldibenzoselenophen-2-yl)-5-(2-phenylphenyl)triazine has a molecular weight of 614.61 g/mol, XLogP of 9.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-(1-phenyldibenzoselenophen-2-yl)-5-(2-phenylphenyl)triazine is sourced from PubChem (CID 166133463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).