4-[2,3-bis(1-benzothiophen-2-yl)-6-phenyl-4-pyridin-2-ylphenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-[2-phenyl-6-(2-phenyl-3-pyridin-2-yldibenzoselenophen-1-yl)phenyl]triazine;4,5-diphenyl-6-[2-phenyl-6-(2-pyridin-2-yldibenzofuran-1-yl)phenyl]triazine;2-phenylpyridine

C153H99N13OS2Se — CID 175536306

About 4-[2,3-bis(1-benzothiophen-2-yl)-6-phenyl-4-pyridin-2-ylphenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-[2-phenyl-6-(2-phenyl-3-pyridin-2-yldibenzoselenophen-1-yl)phenyl]triazine;4,5-diphenyl-6-[2-phenyl-6-(2-pyridin-2-yldibenzofuran-1-yl)phenyl]triazine;2-phenylpyridine

4-[2,3-bis(1-benzothiophen-2-yl)-6-phenyl-4-pyridin-2-ylphenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-[2-phenyl-6-(2-phenyl-3-pyridin-2-yldibenzoselenophen-1-yl)phenyl]triazine;4,5-diphenyl-6-[2-phenyl-6-(2-pyridin-2-yldibenzofuran-1-yl)phenyl]triazine;2-phenylpyridine (PubChem CID 175536306) has the molecular formula C153H99N13OS2Se and a molecular weight of 2278.66 g/mol. Its IUPAC name is 4-[2,3-bis(1-benzothiophen-2-yl)-6-phenyl-4-pyridin-2-ylphenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-[2-phenyl-6-(2-phenyl-3-pyridin-2-yldibenzoselenophen-1-yl)phenyl]triazine;4,5-diphenyl-6-[2-phenyl-6-(2-pyridin-2-yldibenzofuran-1-yl)phenyl]triazine;2-phenylpyridine.

Molecular Properties

• Compound Name: 4-[2,3-bis(1-benzothiophen-2-yl)-6-phenyl-4-pyridin-2-ylphenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-[2-phenyl-6-(2-phenyl-3-pyridin-2-yldibenzoselenophen-1-yl)phenyl]triazine;4,5-diphenyl-6-[2-phenyl-6-(2-pyridin-2-yldibenzofuran-1-yl)phenyl]triazine;2-phenylpyridine
• PubChem CID: 175536306
• Molecular Formula: C153H99N13OS2Se
• Molecular Weight: 2278.66 g/mol
• Exact Mass: 2277.67
• IUPAC Name: 4-[2,3-bis(1-benzothiophen-2-yl)-6-phenyl-4-pyridin-2-ylphenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-[2-phenyl-6-(2-phenyl-3-pyridin-2-yldibenzoselenophen-1-yl)phenyl]triazine;4,5-diphenyl-6-[2-phenyl-6-(2-pyridin-2-yldibenzofuran-1-yl)phenyl]triazine;2-phenylpyridine
• SMILES: c1ccc(-c2cc(-c3ccccn3)c(-c3cc4ccccc4s3)c(-c3cc4ccccc4s3)c2-c2nnnc(-c3ccccc3)c2-c2ccccc2)cc1.c1ccc(-c2cccc(-c3c(-c4ccccc4)c(-c4ccccn4)cc4[se]c5ccccc5c34)c2-c2nnnc(-c3ccccc3)c2-c2ccccc2)cc1.c1ccc(-c2cccc(-c3c(-c4ccccn4)ccc4oc5ccccc5c34)c2-c2nnnc(-c3ccccc3)c2-c2ccccc2)cc1.c1ccc(-c2ccccn2)cc1
• InChI: InChI=1S/C50H32N4Se.C48H30N4S2.C44H28N4O.C11H9N/c1-5-18-33(19-6-1)37-27-17-28-39(46(37)50-45(35-22-9-3-10-23-35)49(52-54-53-50)36-24-11-4-12-25-36)48-44(34-20-7-2-8-21-34)40(41-29-15-16-31-51-41)32-43-47(48)38-26-13-14-30-42(38)55-43;1-4-16-31(17-5-1)36-30-37(38-24-14-15-27-49-38)44(41-28-34-22-10-12-25-39(34)53-41)46(42-29-35-23-11-13-26-40(35)54-42)45(36)48-43(32-18-6-2-7-19-32)47(50-52-51-48)33-20-8-3-9-21-33;1-4-15-29(16-5-1)32-22-14-23-35(40-33(36-24-12-13-28-45-36)26-27-38-42(40)34-21-10-11-25-37(34)49-38)41(32)44-39(30-17-6-2-7-18-30)43(46-48-47-44)31-19-8-3-9-20-31;1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-32H;1-30H;1-28H;1-9H
• InChIKey: WROBYXYSYBKUHL-UHFFFAOYSA-N
• XLogP: 39.58
• TPSA: 180.71 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 21
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2278.66
LogP ≤ 5	39.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2,3-bis(1-benzothiophen-2-yl)-6-phenyl-4-pyridin-2-ylphenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-[2-phenyl-6-(2-phenyl-3-pyridin-2-yldibenzoselenophen-1-yl)phenyl]triazine;4,5-diphenyl-6-[2-phenyl-6-(2-pyridin-2-yldibenzofuran-1-yl)phenyl]triazine;2-phenylpyridine?

The IUPAC name of 4-[2,3-bis(1-benzothiophen-2-yl)-6-phenyl-4-pyridin-2-ylphenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-[2-phenyl-6-(2-phenyl-3-pyridin-2-yldibenzoselenophen-1-yl)phenyl]triazine;4,5-diphenyl-6-[2-phenyl-6-(2-pyridin-2-yldibenzofuran-1-yl)phenyl]triazine;2-phenylpyridine (CID 175536306) is 4-[2,3-bis(1-benzothiophen-2-yl)-6-phenyl-4-pyridin-2-ylphenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-[2-phenyl-6-(2-phenyl-3-pyridin-2-yldibenzoselenophen-1-yl)phenyl]triazine;4,5-diphenyl-6-[2-phenyl-6-(2-pyridin-2-yldibenzofuran-1-yl)phenyl]triazine;2-phenylpyridine.

What is the SMILES notation for 4-[2,3-bis(1-benzothiophen-2-yl)-6-phenyl-4-pyridin-2-ylphenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-[2-phenyl-6-(2-phenyl-3-pyridin-2-yldibenzoselenophen-1-yl)phenyl]triazine;4,5-diphenyl-6-[2-phenyl-6-(2-pyridin-2-yldibenzofuran-1-yl)phenyl]triazine;2-phenylpyridine?

The canonical SMILES for 4-[2,3-bis(1-benzothiophen-2-yl)-6-phenyl-4-pyridin-2-ylphenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-[2-phenyl-6-(2-phenyl-3-pyridin-2-yldibenzoselenophen-1-yl)phenyl]triazine;4,5-diphenyl-6-[2-phenyl-6-(2-pyridin-2-yldibenzofuran-1-yl)phenyl]triazine;2-phenylpyridine is c1ccc(-c2cc(-c3ccccn3)c(-c3cc4ccccc4s3)c(-c3cc4ccccc4s3)c2-c2nnnc(-c3ccccc3)c2-c2ccccc2)cc1.c1ccc(-c2cccc(-c3c(-c4ccccc4)c(-c4ccccn4)cc4[se]c5ccccc5c34)c2-c2nnnc(-c3ccccc3)c2-c2ccccc2)cc1.c1ccc(-c2cccc(-c3c(-c4ccccn4)ccc4oc5ccccc5c34)c2-c2nnnc(-c3ccccc3)c2-c2ccccc2)cc1.c1ccc(-c2ccccn2)cc1.

What is the InChIKey of 4-[2,3-bis(1-benzothiophen-2-yl)-6-phenyl-4-pyridin-2-ylphenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-[2-phenyl-6-(2-phenyl-3-pyridin-2-yldibenzoselenophen-1-yl)phenyl]triazine;4,5-diphenyl-6-[2-phenyl-6-(2-pyridin-2-yldibenzofuran-1-yl)phenyl]triazine;2-phenylpyridine?

The InChIKey is WROBYXYSYBKUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4Se.C48H30N4S2.C44H28N4O.C11H9N/c1-5-18-33(19-6-1)37-27-17-28-39(46(37)50-45(35-22-9-3-10-23-35)49(52-54-53-50)36-24-11-4-12-25-36)48-44(34-20-7-2-8-21-34)40(41-29-15-16-31-51-41)32-43-47(48)38-26-13-14-30-42(38)55-43;1-4-16-31(17-5-1)36-30-37(38-24-14-15-27-49-38)44(41-28-34-22-10-12-25-39(34)53-41)46(42-29-35-23-11-13-26-40(35)54-42)45(36)48-43(32-18-6-2-7-19-32)47(50-52-51-48)33-20-8-3-9-21-33;1-4-15-29(16-5-1)32-22-14-23-35(40-33(36-24-12-13-28-45-36)26-27-38-42(40)34-21-10-11-25-37(34)49-38)41(32)44-39(30-17-6-2-7-18-30)43(46-48-47-44)31-19-8-3-9-20-31;1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-32H;1-30H;1-28H;1-9H.

What are the key properties of 4-[2,3-bis(1-benzothiophen-2-yl)-6-phenyl-4-pyridin-2-ylphenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-[2-phenyl-6-(2-phenyl-3-pyridin-2-yldibenzoselenophen-1-yl)phenyl]triazine;4,5-diphenyl-6-[2-phenyl-6-(2-pyridin-2-yldibenzofuran-1-yl)phenyl]triazine;2-phenylpyridine?

4-[2,3-bis(1-benzothiophen-2-yl)-6-phenyl-4-pyridin-2-ylphenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-[2-phenyl-6-(2-phenyl-3-pyridin-2-yldibenzoselenophen-1-yl)phenyl]triazine;4,5-diphenyl-6-[2-phenyl-6-(2-pyridin-2-yldibenzofuran-1-yl)phenyl]triazine;2-phenylpyridine has a molecular weight of 2278.66 g/mol, XLogP of 39.58, 21 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2,3-bis(1-benzothiophen-2-yl)-6-phenyl-4-pyridin-2-ylphenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-[2-phenyl-6-(2-phenyl-3-pyridin-2-yldibenzoselenophen-1-yl)phenyl]triazine;4,5-diphenyl-6-[2-phenyl-6-(2-pyridin-2-yldibenzofuran-1-yl)phenyl]triazine;2-phenylpyridine is sourced from PubChem (CID 175536306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).