8-azoniapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3,5,7,10,14,16,20,22-nonaene;9H-[1]benzothiolo[3,2-b]pyridin-9-ide;4,5-bis(2-methylphenyl)-1-phenyl-3-phenyl-2H-imidazol-2-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;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium);iridium(3+);2-phenylpyridine;trimethyl-[6-(3-trimethylsilylbenzene-6-id-1-yl)-3-pyridinyl]silane

C146H127Ir4N11SSi2-3 — CID 161135462

About 8-azoniapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3,5,7,10,14,16,20,22-nonaene;9H-[1]benzothiolo[3,2-b]pyridin-9-ide;4,5-bis(2-methylphenyl)-1-phenyl-3-phenyl-2H-imidazol-2-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;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium);iridium(3+);2-phenylpyridine;trimethyl-[6-(3-trimethylsilylbenzene-6-id-1-yl)-3-pyridinyl]silane

8-azoniapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3,5,7,10,14,16,20,22-nonaene;9H-[1]benzothiolo[3,2-b]pyridin-9-ide;4,5-bis(2-methylphenyl)-1-phenyl-3-phenyl-2H-imidazol-2-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;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium);iridium(3+);2-phenylpyridine;trimethyl-[6-(3-trimethylsilylbenzene-6-id-1-yl)-3-pyridinyl]silane (PubChem CID 161135462) has the molecular formula C146H127Ir4N11SSi2-3 and a molecular weight of 2892.81 g/mol. Its IUPAC name is 8-azoniapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3,5,7,10,14,16,20,22-nonaene;9H-[1]benzothiolo[3,2-b]pyridin-9-ide;4,5-bis(2-methylphenyl)-1-phenyl-3-phenyl-2H-imidazol-2-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;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium);iridium(3+);2-phenylpyridine;trimethyl-[6-(3-trimethylsilylbenzene-6-id-1-yl)-3-pyridinyl]silane.

Molecular Properties

• Compound Name: 8-azoniapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3,5,7,10,14,16,20,22-nonaene;9H-[1]benzothiolo[3,2-b]pyridin-9-ide;4,5-bis(2-methylphenyl)-1-phenyl-3-phenyl-2H-imidazol-2-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;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium);iridium(3+);2-phenylpyridine;trimethyl-[6-(3-trimethylsilylbenzene-6-id-1-yl)-3-pyridinyl]silane
• PubChem CID: 161135462
• Molecular Formula: C146H127Ir4N11SSi2-3
• Molecular Weight: 2892.81 g/mol
• Exact Mass: 2893.81
• IUPAC Name: 8-azoniapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3,5,7,10,14,16,20,22-nonaene;9H-[1]benzothiolo[3,2-b]pyridin-9-ide;4,5-bis(2-methylphenyl)-1-phenyl-3-phenyl-2H-imidazol-2-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;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium);iridium(3+);2-phenylpyridine;trimethyl-[6-(3-trimethylsilylbenzene-6-id-1-yl)-3-pyridinyl]silane
• SMILES: CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.C[Si](C)(C)c1ccc(-c2[c-]ccc([Si](C)(C)C)c2)nc1.Cc1ccccc1C1=C(c2ccccc2C)N(c2ccccc2)[CH-]N1c1[c-]cccc1.[Ir+3].[Ir].[Ir].[Ir].[c-]1cccc2sc3cccnc3c12.[c-]1ccccc1-c1cc2c3cc4c5ccccc5n(-c5ccccc5)c4cc3n(-c3ccccc3)c2cn1.[c-]1ccccc1-c1ccccn1.c1cc[n+]2c(c1)-c1c3ccc(c1C2)CCc1ccc(cc1)CC3
• InChI: InChI=1S/C35H22N3.C29H24N2.C22H20N.C21H23N2.C17H24NSi2.C11H6NS.C11H8N.4Ir/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;1-22-13-9-11-19-26(22)28-29(27-20-12-10-14-23(27)2)31(25-17-7-4-8-18-25)21-30(28)24-15-5-3-6-16-24;1-2-14-23-15-20-18-10-8-16-4-6-17(7-5-16)9-11-19(13-12-18)22(20)21(23)3-1;1-15(2)18-11-8-12-19(16(3)4)20(18)23-14-13-22-21(23)17-9-6-5-7-10-17;1-19(2,3)15-9-7-8-14(12-15)17-11-10-16(13-18-17)20(4,5)6;1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h1-12,14-23H;3-17,19-21H,1-2H3;1-7,12-14H,8-11,15H2;5-9,11-16H,1-4H3;7,9-13H,1-6H3;1-3,5-7H;1-6,8-9H;;;;/q-1;-2;+1;4*-1;;;;+3
• InChIKey: YZPFYFRZWXUVDB-UHFFFAOYSA-N
• XLogP: 34.72
• TPSA: 89.60 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2892.81
LogP ≤ 5	34.72
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-azoniapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3,5,7,10,14,16,20,22-nonaene;9H-[1]benzothiolo[3,2-b]pyridin-9-ide;4,5-bis(2-methylphenyl)-1-phenyl-3-phenyl-2H-imidazol-2-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;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium);iridium(3+);2-phenylpyridine;trimethyl-[6-(3-trimethylsilylbenzene-6-id-1-yl)-3-pyridinyl]silane?

The IUPAC name of 8-azoniapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3,5,7,10,14,16,20,22-nonaene;9H-[1]benzothiolo[3,2-b]pyridin-9-ide;4,5-bis(2-methylphenyl)-1-phenyl-3-phenyl-2H-imidazol-2-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;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium);iridium(3+);2-phenylpyridine;trimethyl-[6-(3-trimethylsilylbenzene-6-id-1-yl)-3-pyridinyl]silane (CID 161135462) is 8-azoniapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3,5,7,10,14,16,20,22-nonaene;9H-[1]benzothiolo[3,2-b]pyridin-9-ide;4,5-bis(2-methylphenyl)-1-phenyl-3-phenyl-2H-imidazol-2-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;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium);iridium(3+);2-phenylpyridine;trimethyl-[6-(3-trimethylsilylbenzene-6-id-1-yl)-3-pyridinyl]silane.

What is the SMILES notation for 8-azoniapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3,5,7,10,14,16,20,22-nonaene;9H-[1]benzothiolo[3,2-b]pyridin-9-ide;4,5-bis(2-methylphenyl)-1-phenyl-3-phenyl-2H-imidazol-2-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;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium);iridium(3+);2-phenylpyridine;trimethyl-[6-(3-trimethylsilylbenzene-6-id-1-yl)-3-pyridinyl]silane?

The canonical SMILES for 8-azoniapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3,5,7,10,14,16,20,22-nonaene;9H-[1]benzothiolo[3,2-b]pyridin-9-ide;4,5-bis(2-methylphenyl)-1-phenyl-3-phenyl-2H-imidazol-2-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;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium);iridium(3+);2-phenylpyridine;trimethyl-[6-(3-trimethylsilylbenzene-6-id-1-yl)-3-pyridinyl]silane is CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.C[Si](C)(C)c1ccc(-c2[c-]ccc([Si](C)(C)C)c2)nc1.Cc1ccccc1C1=C(c2ccccc2C)N(c2ccccc2)[CH-]N1c1[c-]cccc1.[Ir+3].[Ir].[Ir].[Ir].[c-]1cccc2sc3cccnc3c12.[c-]1ccccc1-c1cc2c3cc4c5ccccc5n(-c5ccccc5)c4cc3n(-c3ccccc3)c2cn1.[c-]1ccccc1-c1ccccn1.c1cc[n+]2c(c1)-c1c3ccc(c1C2)CCc1ccc(cc1)CC3.

What is the InChIKey of 8-azoniapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3,5,7,10,14,16,20,22-nonaene;9H-[1]benzothiolo[3,2-b]pyridin-9-ide;4,5-bis(2-methylphenyl)-1-phenyl-3-phenyl-2H-imidazol-2-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;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium);iridium(3+);2-phenylpyridine;trimethyl-[6-(3-trimethylsilylbenzene-6-id-1-yl)-3-pyridinyl]silane?

The InChIKey is YZPFYFRZWXUVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N3.C29H24N2.C22H20N.C21H23N2.C17H24NSi2.C11H6NS.C11H8N.4Ir/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;1-22-13-9-11-19-26(22)28-29(27-20-12-10-14-23(27)2)31(25-17-7-4-8-18-25)21-30(28)24-15-5-3-6-16-24;1-2-14-23-15-20-18-10-8-16-4-6-17(7-5-16)9-11-19(13-12-18)22(20)21(23)3-1;1-15(2)18-11-8-12-19(16(3)4)20(18)23-14-13-22-21(23)17-9-6-5-7-10-17;1-19(2,3)15-9-7-8-14(12-15)17-11-10-16(13-18-17)20(4,5)6;1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h1-12,14-23H;3-17,19-21H,1-2H3;1-7,12-14H,8-11,15H2;5-9,11-16H,1-4H3;7,9-13H,1-6H3;1-3,5-7H;1-6,8-9H;;;;/q-1;-2;+1;4*-1;;;;+3.

What are the key properties of 8-azoniapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3,5,7,10,14,16,20,22-nonaene;9H-[1]benzothiolo[3,2-b]pyridin-9-ide;4,5-bis(2-methylphenyl)-1-phenyl-3-phenyl-2H-imidazol-2-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;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium);iridium(3+);2-phenylpyridine;trimethyl-[6-(3-trimethylsilylbenzene-6-id-1-yl)-3-pyridinyl]silane?

8-azoniapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3,5,7,10,14,16,20,22-nonaene;9H-[1]benzothiolo[3,2-b]pyridin-9-ide;4,5-bis(2-methylphenyl)-1-phenyl-3-phenyl-2H-imidazol-2-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;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium);iridium(3+);2-phenylpyridine;trimethyl-[6-(3-trimethylsilylbenzene-6-id-1-yl)-3-pyridinyl]silane has a molecular weight of 2892.81 g/mol, XLogP of 34.72, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 8-azoniapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3,5,7,10,14,16,20,22-nonaene;9H-[1]benzothiolo[3,2-b]pyridin-9-ide;4,5-bis(2-methylphenyl)-1-phenyl-3-phenyl-2H-imidazol-2-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;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium);iridium(3+);2-phenylpyridine;trimethyl-[6-(3-trimethylsilylbenzene-6-id-1-yl)-3-pyridinyl]silane is sourced from PubChem (CID 161135462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).