4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;iridium;iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;tris(3-methyl-2-phenylpyridine);1-phenyl-2-[3-[3-(1-phenylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;N-phenyl-3-(1-phenylimidazol-2-yl)-N-[3-(1-phenylimidazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;tris(platinum(2+));4-(3-triphenylen-2-ylphenyl)dibenzothiophene

C231H160Ir2N17OPt3S3-2 — CID 157055167

About 4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;iridium;iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;tris(3-methyl-2-phenylpyridine);1-phenyl-2-[3-[3-(1-phenylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;N-phenyl-3-(1-phenylimidazol-2-yl)-N-[3-(1-phenylimidazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;tris(platinum(2+));4-(3-triphenylen-2-ylphenyl)dibenzothiophene

4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;iridium;iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;tris(3-methyl-2-phenylpyridine);1-phenyl-2-[3-[3-(1-phenylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;N-phenyl-3-(1-phenylimidazol-2-yl)-N-[3-(1-phenylimidazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;tris(platinum(2+));4-(3-triphenylen-2-ylphenyl)dibenzothiophene (PubChem CID 157055167) has the molecular formula C231H160Ir2N17OPt3S3-2 and a molecular weight of 4255.81 g/mol. Its IUPAC name is 4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;iridium;iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;tris(3-methyl-2-phenylpyridine);1-phenyl-2-[3-[3-(1-phenylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;N-phenyl-3-(1-phenylimidazol-2-yl)-N-[3-(1-phenylimidazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;tris(platinum(2+));4-(3-triphenylen-2-ylphenyl)dibenzothiophene.

Molecular Properties

• Compound Name: 4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;iridium;iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;tris(3-methyl-2-phenylpyridine);1-phenyl-2-[3-[3-(1-phenylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;N-phenyl-3-(1-phenylimidazol-2-yl)-N-[3-(1-phenylimidazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;tris(platinum(2+));4-(3-triphenylen-2-ylphenyl)dibenzothiophene
• PubChem CID: 157055167
• Molecular Formula: C231H160Ir2N17OPt3S3-2
• Molecular Weight: 4255.81 g/mol
• Exact Mass: 4254.04
• IUPAC Name: 4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;iridium;iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;tris(3-methyl-2-phenylpyridine);1-phenyl-2-[3-[3-(1-phenylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;N-phenyl-3-(1-phenylimidazol-2-yl)-N-[3-(1-phenylimidazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;tris(platinum(2+));4-(3-triphenylen-2-ylphenyl)dibenzothiophene
• SMILES: Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1cccnc1-c1[c-]cccc1.Cc1cccnc1-c1[c-]cccc1.Cc1cccnc1-c1[c-]cccc1.[Ir+3].[Ir].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2nccn2-c2ccccc2)cccc1N(c1[c-]c(-c2nccn2-c2ccccc2)ccc1)c1ccccc1.[c-]1c(Oc2[c-]c(-c3nccn3-c3ccccc3)ccc2)cccc1-c1nccn1-c1ccccc1.[c-]1ccccc1-c1cccc(N(c2ccccc2)c2cccc(-c3[c-]cccc3)n2)n1.[c-]1ccccc1-c1ccccn1.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)cc(-c2cccc3c2sc2ccccc23)c1
• InChI: InChI=1S/C36H25N5.C36H22S2.C36H22S.C30H20N4O.C28H19N3.C18H14N.3C12H10N.C11H8N.2Ir.3Pt/c1-4-14-30(15-5-1)39-24-22-37-35(39)28-12-10-20-33(26-28)41(32-18-8-3-9-19-32)34-21-11-13-29(27-34)36-38-23-25-40(36)31-16-6-2-7-17-31;1-3-19-33-29(13-1)31-17-7-15-27(35(31)37-33)25-11-5-9-23(21-25)24-10-6-12-26(22-24)28-16-8-18-32-30-14-2-4-20-34(30)38-36(28)32;1-2-13-29-27(11-1)28-12-3-4-14-30(28)34-22-24(19-20-31(29)34)23-9-7-10-25(21-23)26-16-8-17-33-32-15-5-6-18-35(32)37-36(26)33;1-3-11-25(12-4-1)33-19-17-31-29(33)23-9-7-15-27(21-23)35-28-16-8-10-24(22-28)30-32-18-20-34(30)26-13-5-2-6-14-26;1-4-12-22(13-5-1)25-18-10-20-27(29-25)31(24-16-8-3-9-17-24)28-21-11-19-26(30-28)23-14-6-2-7-15-23;1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;3*1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h1-25H;1-22H;1-22H;1-20H;1-12,14,16-21H;2-10,12-13H,1H3;3*2-7,9H,1H3;1-6,8-9H;;;;;/q-2;;;2*-2;5*-1;;+3;3*+2
• InChIKey: RXBDCLMXNCRALS-UHFFFAOYSA-N
• XLogP: 60.03
• TPSA: 177.22 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 29
• Heavy Atoms: 257
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4255.81
LogP ≤ 5	60.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;iridium;iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;tris(3-methyl-2-phenylpyridine);1-phenyl-2-[3-[3-(1-phenylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;N-phenyl-3-(1-phenylimidazol-2-yl)-N-[3-(1-phenylimidazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;tris(platinum(2+));4-(3-triphenylen-2-ylphenyl)dibenzothiophene?

The IUPAC name of 4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;iridium;iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;tris(3-methyl-2-phenylpyridine);1-phenyl-2-[3-[3-(1-phenylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;N-phenyl-3-(1-phenylimidazol-2-yl)-N-[3-(1-phenylimidazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;tris(platinum(2+));4-(3-triphenylen-2-ylphenyl)dibenzothiophene (CID 157055167) is 4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;iridium;iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;tris(3-methyl-2-phenylpyridine);1-phenyl-2-[3-[3-(1-phenylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;N-phenyl-3-(1-phenylimidazol-2-yl)-N-[3-(1-phenylimidazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;tris(platinum(2+));4-(3-triphenylen-2-ylphenyl)dibenzothiophene.

What is the SMILES notation for 4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;iridium;iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;tris(3-methyl-2-phenylpyridine);1-phenyl-2-[3-[3-(1-phenylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;N-phenyl-3-(1-phenylimidazol-2-yl)-N-[3-(1-phenylimidazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;tris(platinum(2+));4-(3-triphenylen-2-ylphenyl)dibenzothiophene?

The canonical SMILES for 4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;iridium;iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;tris(3-methyl-2-phenylpyridine);1-phenyl-2-[3-[3-(1-phenylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;N-phenyl-3-(1-phenylimidazol-2-yl)-N-[3-(1-phenylimidazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;tris(platinum(2+));4-(3-triphenylen-2-ylphenyl)dibenzothiophene is Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1cccnc1-c1[c-]cccc1.Cc1cccnc1-c1[c-]cccc1.Cc1cccnc1-c1[c-]cccc1.[Ir+3].[Ir].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2nccn2-c2ccccc2)cccc1N(c1[c-]c(-c2nccn2-c2ccccc2)ccc1)c1ccccc1.[c-]1c(Oc2[c-]c(-c3nccn3-c3ccccc3)ccc2)cccc1-c1nccn1-c1ccccc1.[c-]1ccccc1-c1cccc(N(c2ccccc2)c2cccc(-c3[c-]cccc3)n2)n1.[c-]1ccccc1-c1ccccn1.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)cc(-c2cccc3c2sc2ccccc23)c1.

What is the InChIKey of 4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;iridium;iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;tris(3-methyl-2-phenylpyridine);1-phenyl-2-[3-[3-(1-phenylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;N-phenyl-3-(1-phenylimidazol-2-yl)-N-[3-(1-phenylimidazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;tris(platinum(2+));4-(3-triphenylen-2-ylphenyl)dibenzothiophene?

The InChIKey is RXBDCLMXNCRALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N5.C36H22S2.C36H22S.C30H20N4O.C28H19N3.C18H14N.3C12H10N.C11H8N.2Ir.3Pt/c1-4-14-30(15-5-1)39-24-22-37-35(39)28-12-10-20-33(26-28)41(32-18-8-3-9-19-32)34-21-11-13-29(27-34)36-38-23-25-40(36)31-16-6-2-7-17-31;1-3-19-33-29(13-1)31-17-7-15-27(35(31)37-33)25-11-5-9-23(21-25)24-10-6-12-26(22-24)28-16-8-18-32-30-14-2-4-20-34(30)38-36(28)32;1-2-13-29-27(11-1)28-12-3-4-14-30(28)34-22-24(19-20-31(29)34)23-9-7-10-25(21-23)26-16-8-17-33-32-15-5-6-18-35(32)37-36(26)33;1-3-11-25(12-4-1)33-19-17-31-29(33)23-9-7-15-27(21-23)35-28-16-8-10-24(22-28)30-32-18-20-34(30)26-13-5-2-6-14-26;1-4-12-22(13-5-1)25-18-10-20-27(29-25)31(24-16-8-3-9-17-24)28-21-11-19-26(30-28)23-14-6-2-7-15-23;1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;3*1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h1-25H;1-22H;1-22H;1-20H;1-12,14,16-21H;2-10,12-13H,1H3;3*2-7,9H,1H3;1-6,8-9H;;;;;/q-2;;;2*-2;5*-1;;+3;3*+2.

What are the key properties of 4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;iridium;iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;tris(3-methyl-2-phenylpyridine);1-phenyl-2-[3-[3-(1-phenylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;N-phenyl-3-(1-phenylimidazol-2-yl)-N-[3-(1-phenylimidazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;tris(platinum(2+));4-(3-triphenylen-2-ylphenyl)dibenzothiophene?

4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;iridium;iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;tris(3-methyl-2-phenylpyridine);1-phenyl-2-[3-[3-(1-phenylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;N-phenyl-3-(1-phenylimidazol-2-yl)-N-[3-(1-phenylimidazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;tris(platinum(2+));4-(3-triphenylen-2-ylphenyl)dibenzothiophene has a molecular weight of 4255.81 g/mol, XLogP of 60.03, 29 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;iridium;iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;tris(3-methyl-2-phenylpyridine);1-phenyl-2-[3-[3-(1-phenylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;N-phenyl-3-(1-phenylimidazol-2-yl)-N-[3-(1-phenylimidazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-amine;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;tris(platinum(2+));4-(3-triphenylen-2-ylphenyl)dibenzothiophene is sourced from PubChem (CID 157055167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).