9H-[1]benzothiolo[3,2-b]pyridin-9-ide;10,14-diphenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;tris(iridium);4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine);platinum(2+);trimethyl-(3-trimethylsilyl-6H-pyrido[2,1-a]isoindol-5-ium-9-yl)silane

C134H103Ir3N11PtSSi2-4 — CID 161265124

About 9H-[1]benzothiolo[3,2-b]pyridin-9-ide;10,14-diphenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;tris(iridium);4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine);platinum(2+);trimethyl-(3-trimethylsilyl-6H-pyrido[2,1-a]isoindol-5-ium-9-yl)silane

9H-[1]benzothiolo[3,2-b]pyridin-9-ide;10,14-diphenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;tris(iridium);4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine);platinum(2+);trimethyl-(3-trimethylsilyl-6H-pyrido[2,1-a]isoindol-5-ium-9-yl)silane (PubChem CID 161265124) has the molecular formula C134H103Ir3N11PtSSi2-4 and a molecular weight of 2727.34 g/mol. Its IUPAC name is 9H-[1]benzothiolo[3,2-b]pyridin-9-ide;10,14-diphenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;tris(iridium);4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine);platinum(2+);trimethyl-(3-trimethylsilyl-6H-pyrido[2,1-a]isoindol-5-ium-9-yl)silane.

Molecular Properties

• Compound Name: 9H-[1]benzothiolo[3,2-b]pyridin-9-ide;10,14-diphenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;tris(iridium);4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine);platinum(2+);trimethyl-(3-trimethylsilyl-6H-pyrido[2,1-a]isoindol-5-ium-9-yl)silane
• PubChem CID: 161265124
• Molecular Formula: C134H103Ir3N11PtSSi2-4
• Molecular Weight: 2727.34 g/mol
• Exact Mass: 2727.62
• IUPAC Name: 9H-[1]benzothiolo[3,2-b]pyridin-9-ide;10,14-diphenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;tris(iridium);4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine);platinum(2+);trimethyl-(3-trimethylsilyl-6H-pyrido[2,1-a]isoindol-5-ium-9-yl)silane
• SMILES: C[Si](C)(C)c1ccc2c(c1)-c1ccc([Si](C)(C)C)c[n+]1C2.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.[Ir].[Ir].[Ir].[Pt+2].[c-]1cccc2sc3cccnc3c12.[c-]1ccccc1-c1cc2c3cc4c5ccccc5n(-c5ccccc5)c4cc3n(-c3ccccc3)c2cn1.[c-]1ccccc1-c1ccc2c(n1)N1c3nc(-c4[c-]cccc4)ccc3Cc3cccc(c31)C2.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C35H22N3.C30H19N3.C18H26NSi2.C18H14N.C11H6NS.2C11H8N.3Ir.Pt/c1-4-12-24(13-5-1)31-21-30-29-20-28-27-18-10-11-19-32(27)37(25-14-6-2-7-15-25)33(28)22-34(29)38(35(30)23-36-31)26-16-8-3-9-17-26;1-3-8-20(9-4-1)26-16-14-24-18-22-12-7-13-23-19-25-15-17-27(21-10-5-2-6-11-21)32-30(25)33(28(22)23)29(24)31-26;1-20(2,3)15-8-7-14-12-19-13-16(21(4,5)6)9-10-18(19)17(14)11-15;1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h1-12,14-23H;1-8,10,12-17H,18-19H2;7-11,13H,12H2,1-6H3;2-10,12-13H,1H3;1-3,5-7H;2*1-6,8-9H;;;;/q-1;-2;+1;4*-1;;;;+2
• InChIKey: VULADXVDTYZDPS-UHFFFAOYSA-N
• XLogP: 31.39
• TPSA: 107.21 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2727.34
LogP ≤ 5	31.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9H-[1]benzothiolo[3,2-b]pyridin-9-ide;10,14-diphenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;tris(iridium);4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine);platinum(2+);trimethyl-(3-trimethylsilyl-6H-pyrido[2,1-a]isoindol-5-ium-9-yl)silane?

The IUPAC name of 9H-[1]benzothiolo[3,2-b]pyridin-9-ide;10,14-diphenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;tris(iridium);4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine);platinum(2+);trimethyl-(3-trimethylsilyl-6H-pyrido[2,1-a]isoindol-5-ium-9-yl)silane (CID 161265124) is 9H-[1]benzothiolo[3,2-b]pyridin-9-ide;10,14-diphenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;tris(iridium);4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine);platinum(2+);trimethyl-(3-trimethylsilyl-6H-pyrido[2,1-a]isoindol-5-ium-9-yl)silane.

What is the SMILES notation for 9H-[1]benzothiolo[3,2-b]pyridin-9-ide;10,14-diphenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;tris(iridium);4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine);platinum(2+);trimethyl-(3-trimethylsilyl-6H-pyrido[2,1-a]isoindol-5-ium-9-yl)silane?

The canonical SMILES for 9H-[1]benzothiolo[3,2-b]pyridin-9-ide;10,14-diphenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;tris(iridium);4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine);platinum(2+);trimethyl-(3-trimethylsilyl-6H-pyrido[2,1-a]isoindol-5-ium-9-yl)silane is C[Si](C)(C)c1ccc2c(c1)-c1ccc([Si](C)(C)C)c[n+]1C2.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.[Ir].[Ir].[Ir].[Pt+2].[c-]1cccc2sc3cccnc3c12.[c-]1ccccc1-c1cc2c3cc4c5ccccc5n(-c5ccccc5)c4cc3n(-c3ccccc3)c2cn1.[c-]1ccccc1-c1ccc2c(n1)N1c3nc(-c4[c-]cccc4)ccc3Cc3cccc(c31)C2.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 9H-[1]benzothiolo[3,2-b]pyridin-9-ide;10,14-diphenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;tris(iridium);4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine);platinum(2+);trimethyl-(3-trimethylsilyl-6H-pyrido[2,1-a]isoindol-5-ium-9-yl)silane?

The InChIKey is VULADXVDTYZDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N3.C30H19N3.C18H26NSi2.C18H14N.C11H6NS.2C11H8N.3Ir.Pt/c1-4-12-24(13-5-1)31-21-30-29-20-28-27-18-10-11-19-32(27)37(25-14-6-2-7-15-25)33(28)22-34(29)38(35(30)23-36-31)26-16-8-3-9-17-26;1-3-8-20(9-4-1)26-16-14-24-18-22-12-7-13-23-19-25-15-17-27(21-10-5-2-6-11-21)32-30(25)33(28(22)23)29(24)31-26;1-20(2,3)15-8-7-14-12-19-13-16(21(4,5)6)9-10-18(19)17(14)11-15;1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h1-12,14-23H;1-8,10,12-17H,18-19H2;7-11,13H,12H2,1-6H3;2-10,12-13H,1H3;1-3,5-7H;2*1-6,8-9H;;;;/q-1;-2;+1;4*-1;;;;+2.

What are the key properties of 9H-[1]benzothiolo[3,2-b]pyridin-9-ide;10,14-diphenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;tris(iridium);4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine);platinum(2+);trimethyl-(3-trimethylsilyl-6H-pyrido[2,1-a]isoindol-5-ium-9-yl)silane?

9H-[1]benzothiolo[3,2-b]pyridin-9-ide;10,14-diphenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;tris(iridium);4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine);platinum(2+);trimethyl-(3-trimethylsilyl-6H-pyrido[2,1-a]isoindol-5-ium-9-yl)silane has a molecular weight of 2727.34 g/mol, XLogP of 31.39, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-[1]benzothiolo[3,2-b]pyridin-9-ide;10,14-diphenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;tris(iridium);4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine);platinum(2+);trimethyl-(3-trimethylsilyl-6H-pyrido[2,1-a]isoindol-5-ium-9-yl)silane is sourced from PubChem (CID 161265124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).