2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;4,5-dimethyl-2-phenylpyridine;3-(9,9-dimethyl-3H-xanthen-3-id-4-yl)-[1]benzothiolo[2,3-c]pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;3-(9,9-diphenyl-3H-xanthen-3-id-4-yl)-9,9-dimethyl-8,8a-dihydroindeno[2,1-c]pyridine;tetrakis(iridium);2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-phenylpyridine

C175H128Ir4N8O4S3-8 — CID 157381603

About 2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;4,5-dimethyl-2-phenylpyridine;3-(9,9-dimethyl-3H-xanthen-3-id-4-yl)-[1]benzothiolo[2,3-c]pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;3-(9,9-diphenyl-3H-xanthen-3-id-4-yl)-9,9-dimethyl-8,8a-dihydroindeno[2,1-c]pyridine;tetrakis(iridium);2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-phenylpyridine

2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;4,5-dimethyl-2-phenylpyridine;3-(9,9-dimethyl-3H-xanthen-3-id-4-yl)-[1]benzothiolo[2,3-c]pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;3-(9,9-diphenyl-3H-xanthen-3-id-4-yl)-9,9-dimethyl-8,8a-dihydroindeno[2,1-c]pyridine;tetrakis(iridium);2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-phenylpyridine (PubChem CID 157381603) has the molecular formula C175H128Ir4N8O4S3-8 and a molecular weight of 3272.07 g/mol. Its IUPAC name is 2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;4,5-dimethyl-2-phenylpyridine;3-(9,9-dimethyl-3H-xanthen-3-id-4-yl)-[1]benzothiolo[2,3-c]pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;3-(9,9-diphenyl-3H-xanthen-3-id-4-yl)-9,9-dimethyl-8,8a-dihydroindeno[2,1-c]pyridine;tetrakis(iridium);2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-phenylpyridine.

Molecular Properties

• Compound Name: 2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;4,5-dimethyl-2-phenylpyridine;3-(9,9-dimethyl-3H-xanthen-3-id-4-yl)-[1]benzothiolo[2,3-c]pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;3-(9,9-diphenyl-3H-xanthen-3-id-4-yl)-9,9-dimethyl-8,8a-dihydroindeno[2,1-c]pyridine;tetrakis(iridium);2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-phenylpyridine
• PubChem CID: 157381603
• Molecular Formula: C175H128Ir4N8O4S3-8
• Molecular Weight: 3272.07 g/mol
• Exact Mass: 3272.78
• IUPAC Name: 2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;4,5-dimethyl-2-phenylpyridine;3-(9,9-dimethyl-3H-xanthen-3-id-4-yl)-[1]benzothiolo[2,3-c]pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;3-(9,9-diphenyl-3H-xanthen-3-id-4-yl)-9,9-dimethyl-8,8a-dihydroindeno[2,1-c]pyridine;tetrakis(iridium);2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-phenylpyridine
• SMILES: CC1(C)c2ccccc2Oc2c(-c3cc4c(cn3)sc3ccccc34)[c-]ccc21.CC1(C)c2ccccc2Oc2c[c-]c(-c3ccccn3)cc21.CC1(C)c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.CC1(C)c2cnc(-c3[c-]ccc4c3Oc3ccccc3C4(c3ccccc3)c3ccccc3)cc2C2=CC=CCC21.Cc1cnc(-c2[c-]cccc2)cc1C.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(sc3ccc(-c4ccccc4)cc32)c1-c1ccccn1.[c-]1ccc2c(sc3ccccc32)c1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C39H30NO.C26H18NOS.2C23H14NS.2C20H16NO.C13H12N.C11H8N.4Ir/c1-38(2)31-20-10-9-18-28(31)30-24-35(40-25-34(30)38)29-19-13-22-33-37(29)41-36-23-12-11-21-32(36)39(33,26-14-5-3-6-15-26)27-16-7-4-8-17-27;1-26(2)19-10-4-5-12-22(19)28-25-17(9-7-11-20(25)26)21-14-18-16-8-3-6-13-23(16)29-24(18)15-27-21;1-2-7-16(8-3-1)17-12-13-22-20(15-17)18-9-6-10-19(23(18)25-22)21-11-4-5-14-24-21;1-2-7-16(8-3-1)17-13-14-24-21(15-17)20-11-6-10-19-18-9-4-5-12-22(18)25-23(19)20;1-20(2)15-9-3-4-11-17(15)22-18-12-7-8-14(19(18)20)16-10-5-6-13-21-16;1-20(2)15-7-3-4-9-18(15)22-19-11-10-14(13-16(19)20)17-8-5-6-12-21-17;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h3-18,21-25,31H,20H2,1-2H3;3-8,10-15H,1-2H3;1-9,11-15H;1-10,12-15H;3-7,9-13H,1-2H3;3-9,11-13H,1-2H3;3-6,8-9H,1-2H3;1-6,8-9H;;;;/q8*-1
• InChIKey: YKMIPAADLWIGOP-UHFFFAOYSA-N
• XLogP: 45.47
• TPSA: 140.04 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3272.07
LogP ≤ 5	45.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;4,5-dimethyl-2-phenylpyridine;3-(9,9-dimethyl-3H-xanthen-3-id-4-yl)-[1]benzothiolo[2,3-c]pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;3-(9,9-diphenyl-3H-xanthen-3-id-4-yl)-9,9-dimethyl-8,8a-dihydroindeno[2,1-c]pyridine;tetrakis(iridium);2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-phenylpyridine?

The IUPAC name of 2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;4,5-dimethyl-2-phenylpyridine;3-(9,9-dimethyl-3H-xanthen-3-id-4-yl)-[1]benzothiolo[2,3-c]pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;3-(9,9-diphenyl-3H-xanthen-3-id-4-yl)-9,9-dimethyl-8,8a-dihydroindeno[2,1-c]pyridine;tetrakis(iridium);2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-phenylpyridine (CID 157381603) is 2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;4,5-dimethyl-2-phenylpyridine;3-(9,9-dimethyl-3H-xanthen-3-id-4-yl)-[1]benzothiolo[2,3-c]pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;3-(9,9-diphenyl-3H-xanthen-3-id-4-yl)-9,9-dimethyl-8,8a-dihydroindeno[2,1-c]pyridine;tetrakis(iridium);2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-phenylpyridine.

What is the SMILES notation for 2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;4,5-dimethyl-2-phenylpyridine;3-(9,9-dimethyl-3H-xanthen-3-id-4-yl)-[1]benzothiolo[2,3-c]pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;3-(9,9-diphenyl-3H-xanthen-3-id-4-yl)-9,9-dimethyl-8,8a-dihydroindeno[2,1-c]pyridine;tetrakis(iridium);2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-phenylpyridine?

The canonical SMILES for 2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;4,5-dimethyl-2-phenylpyridine;3-(9,9-dimethyl-3H-xanthen-3-id-4-yl)-[1]benzothiolo[2,3-c]pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;3-(9,9-diphenyl-3H-xanthen-3-id-4-yl)-9,9-dimethyl-8,8a-dihydroindeno[2,1-c]pyridine;tetrakis(iridium);2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-phenylpyridine is CC1(C)c2ccccc2Oc2c(-c3cc4c(cn3)sc3ccccc34)[c-]ccc21.CC1(C)c2ccccc2Oc2c[c-]c(-c3ccccn3)cc21.CC1(C)c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.CC1(C)c2cnc(-c3[c-]ccc4c3Oc3ccccc3C4(c3ccccc3)c3ccccc3)cc2C2=CC=CCC21.Cc1cnc(-c2[c-]cccc2)cc1C.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(sc3ccc(-c4ccccc4)cc32)c1-c1ccccn1.[c-]1ccc2c(sc3ccccc32)c1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;4,5-dimethyl-2-phenylpyridine;3-(9,9-dimethyl-3H-xanthen-3-id-4-yl)-[1]benzothiolo[2,3-c]pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;3-(9,9-diphenyl-3H-xanthen-3-id-4-yl)-9,9-dimethyl-8,8a-dihydroindeno[2,1-c]pyridine;tetrakis(iridium);2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-phenylpyridine?

The InChIKey is YKMIPAADLWIGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30NO.C26H18NOS.2C23H14NS.2C20H16NO.C13H12N.C11H8N.4Ir/c1-38(2)31-20-10-9-18-28(31)30-24-35(40-25-34(30)38)29-19-13-22-33-37(29)41-36-23-12-11-21-32(36)39(33,26-14-5-3-6-15-26)27-16-7-4-8-17-27;1-26(2)19-10-4-5-12-22(19)28-25-17(9-7-11-20(25)26)21-14-18-16-8-3-6-13-23(16)29-24(18)15-27-21;1-2-7-16(8-3-1)17-12-13-22-20(15-17)18-9-6-10-19(23(18)25-22)21-11-4-5-14-24-21;1-2-7-16(8-3-1)17-13-14-24-21(15-17)20-11-6-10-19-18-9-4-5-12-22(18)25-23(19)20;1-20(2)15-9-3-4-11-17(15)22-18-12-7-8-14(19(18)20)16-10-5-6-13-21-16;1-20(2)15-7-3-4-9-18(15)22-19-11-10-14(13-16(19)20)17-8-5-6-12-21-17;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h3-18,21-25,31H,20H2,1-2H3;3-8,10-15H,1-2H3;1-9,11-15H;1-10,12-15H;3-7,9-13H,1-2H3;3-9,11-13H,1-2H3;3-6,8-9H,1-2H3;1-6,8-9H;;;;/q8*-1;;;;.

What are the key properties of 2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;4,5-dimethyl-2-phenylpyridine;3-(9,9-dimethyl-3H-xanthen-3-id-4-yl)-[1]benzothiolo[2,3-c]pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;3-(9,9-diphenyl-3H-xanthen-3-id-4-yl)-9,9-dimethyl-8,8a-dihydroindeno[2,1-c]pyridine;tetrakis(iridium);2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-phenylpyridine?

2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;4,5-dimethyl-2-phenylpyridine;3-(9,9-dimethyl-3H-xanthen-3-id-4-yl)-[1]benzothiolo[2,3-c]pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;3-(9,9-diphenyl-3H-xanthen-3-id-4-yl)-9,9-dimethyl-8,8a-dihydroindeno[2,1-c]pyridine;tetrakis(iridium);2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-phenylpyridine has a molecular weight of 3272.07 g/mol, XLogP of 45.47, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;4,5-dimethyl-2-phenylpyridine;3-(9,9-dimethyl-3H-xanthen-3-id-4-yl)-[1]benzothiolo[2,3-c]pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;3-(9,9-diphenyl-3H-xanthen-3-id-4-yl)-9,9-dimethyl-8,8a-dihydroindeno[2,1-c]pyridine;tetrakis(iridium);2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-phenylpyridine is sourced from PubChem (CID 157381603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).