bis(3-dibenzothiophen-4-ylphenyl)-diphenylsilane;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;2,6-di(dibenzothiophen-4-yl)pyridine;iridium;1-methyl-3-phenyl-2H-benzimidazol-2-ide;4-(3-triphenylen-2-ylphenyl)dibenzothiophene

C163H105IrN5S6Si-2 — CID 162273196

About bis(3-dibenzothiophen-4-ylphenyl)-diphenylsilane;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;2,6-di(dibenzothiophen-4-yl)pyridine;iridium;1-methyl-3-phenyl-2H-benzimidazol-2-ide;4-(3-triphenylen-2-ylphenyl)dibenzothiophene

bis(3-dibenzothiophen-4-ylphenyl)-diphenylsilane;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;2,6-di(dibenzothiophen-4-yl)pyridine;iridium;1-methyl-3-phenyl-2H-benzimidazol-2-ide;4-(3-triphenylen-2-ylphenyl)dibenzothiophene (PubChem CID 162273196) has the molecular formula C163H105IrN5S6Si-2 and a molecular weight of 2546.37 g/mol. Its IUPAC name is bis(3-dibenzothiophen-4-ylphenyl)-diphenylsilane;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;2,6-di(dibenzothiophen-4-yl)pyridine;iridium;1-methyl-3-phenyl-2H-benzimidazol-2-ide;4-(3-triphenylen-2-ylphenyl)dibenzothiophene.

Molecular Properties

• Compound Name: bis(3-dibenzothiophen-4-ylphenyl)-diphenylsilane;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;2,6-di(dibenzothiophen-4-yl)pyridine;iridium;1-methyl-3-phenyl-2H-benzimidazol-2-ide;4-(3-triphenylen-2-ylphenyl)dibenzothiophene
• PubChem CID: 162273196
• Molecular Formula: C163H105IrN5S6Si-2
• Molecular Weight: 2546.37 g/mol
• Exact Mass: 2544.61
• IUPAC Name: bis(3-dibenzothiophen-4-ylphenyl)-diphenylsilane;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;2,6-di(dibenzothiophen-4-yl)pyridine;iridium;1-methyl-3-phenyl-2H-benzimidazol-2-ide;4-(3-triphenylen-2-ylphenyl)dibenzothiophene
• SMILES: CN1[CH-]N(c2[c-]cccc2)c2ccccc21.[Ir].c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2cccc3c2sc2ccccc23)nc(-c2cccc3c2sc2ccccc23)c1.c1ccc([Si](c2ccccc2)(c2cccc(-c3cccc4c3sc3ccccc34)c2)c2cccc(-c3cccc4c3sc3ccccc34)c2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
• InChI: InChI=1S/C48H32S2Si.C36H22N2S.C36H22S.C29H17NS2.C14H12N2.Ir/c1-3-17-35(18-4-1)51(36-19-5-2-6-20-36,37-21-11-15-33(31-37)39-25-13-27-43-41-23-7-9-29-45(41)49-47(39)43)38-22-12-16-34(32-38)40-26-14-28-44-42-24-8-10-30-46(42)50-48(40)44;1-5-13-31-25(9-1)26-10-2-6-14-32(26)37(31)23-17-19-35-29(21-23)30-22-24(18-20-36(30)39-35)38-33-15-7-3-11-27(33)28-12-4-8-16-34(28)38;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;1-3-16-26-18(8-1)20-10-5-12-22(28(20)31-26)24-14-7-15-25(30-24)23-13-6-11-21-19-9-2-4-17-27(19)32-29(21)23;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;/h1-32H;1-22H;1-22H;1-17H;2-7,9-11H,1H3;/q;;;;-2
• InChIKey: RSNOXCJOMPJHFQ-UHFFFAOYSA-N
• XLogP: 44.57
• TPSA: 29.23 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2546.37
LogP ≤ 5	44.57
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': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(3-dibenzothiophen-4-ylphenyl)-diphenylsilane;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;2,6-di(dibenzothiophen-4-yl)pyridine;iridium;1-methyl-3-phenyl-2H-benzimidazol-2-ide;4-(3-triphenylen-2-ylphenyl)dibenzothiophene?

The IUPAC name of bis(3-dibenzothiophen-4-ylphenyl)-diphenylsilane;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;2,6-di(dibenzothiophen-4-yl)pyridine;iridium;1-methyl-3-phenyl-2H-benzimidazol-2-ide;4-(3-triphenylen-2-ylphenyl)dibenzothiophene (CID 162273196) is bis(3-dibenzothiophen-4-ylphenyl)-diphenylsilane;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;2,6-di(dibenzothiophen-4-yl)pyridine;iridium;1-methyl-3-phenyl-2H-benzimidazol-2-ide;4-(3-triphenylen-2-ylphenyl)dibenzothiophene.

What is the SMILES notation for bis(3-dibenzothiophen-4-ylphenyl)-diphenylsilane;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;2,6-di(dibenzothiophen-4-yl)pyridine;iridium;1-methyl-3-phenyl-2H-benzimidazol-2-ide;4-(3-triphenylen-2-ylphenyl)dibenzothiophene?

The canonical SMILES for bis(3-dibenzothiophen-4-ylphenyl)-diphenylsilane;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;2,6-di(dibenzothiophen-4-yl)pyridine;iridium;1-methyl-3-phenyl-2H-benzimidazol-2-ide;4-(3-triphenylen-2-ylphenyl)dibenzothiophene is CN1[CH-]N(c2[c-]cccc2)c2ccccc21.[Ir].c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2cccc3c2sc2ccccc23)nc(-c2cccc3c2sc2ccccc23)c1.c1ccc([Si](c2ccccc2)(c2cccc(-c3cccc4c3sc3ccccc34)c2)c2cccc(-c3cccc4c3sc3ccccc34)c2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.

What is the InChIKey of bis(3-dibenzothiophen-4-ylphenyl)-diphenylsilane;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;2,6-di(dibenzothiophen-4-yl)pyridine;iridium;1-methyl-3-phenyl-2H-benzimidazol-2-ide;4-(3-triphenylen-2-ylphenyl)dibenzothiophene?

The InChIKey is RSNOXCJOMPJHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32S2Si.C36H22N2S.C36H22S.C29H17NS2.C14H12N2.Ir/c1-3-17-35(18-4-1)51(36-19-5-2-6-20-36,37-21-11-15-33(31-37)39-25-13-27-43-41-23-7-9-29-45(41)49-47(39)43)38-22-12-16-34(32-38)40-26-14-28-44-42-24-8-10-30-46(42)50-48(40)44;1-5-13-31-25(9-1)26-10-2-6-14-32(26)37(31)23-17-19-35-29(21-23)30-22-24(18-20-36(30)39-35)38-33-15-7-3-11-27(33)28-12-4-8-16-34(28)38;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;1-3-16-26-18(8-1)20-10-5-12-22(28(20)31-26)24-14-7-15-25(30-24)23-13-6-11-21-19-9-2-4-17-27(19)32-29(21)23;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;/h1-32H;1-22H;1-22H;1-17H;2-7,9-11H,1H3;/q;;;;-2;.

What are the key properties of bis(3-dibenzothiophen-4-ylphenyl)-diphenylsilane;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;2,6-di(dibenzothiophen-4-yl)pyridine;iridium;1-methyl-3-phenyl-2H-benzimidazol-2-ide;4-(3-triphenylen-2-ylphenyl)dibenzothiophene?

bis(3-dibenzothiophen-4-ylphenyl)-diphenylsilane;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;2,6-di(dibenzothiophen-4-yl)pyridine;iridium;1-methyl-3-phenyl-2H-benzimidazol-2-ide;4-(3-triphenylen-2-ylphenyl)dibenzothiophene has a molecular weight of 2546.37 g/mol, XLogP of 44.57, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-dibenzothiophen-4-ylphenyl)-diphenylsilane;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;2,6-di(dibenzothiophen-4-yl)pyridine;iridium;1-methyl-3-phenyl-2H-benzimidazol-2-ide;4-(3-triphenylen-2-ylphenyl)dibenzothiophene is sourced from PubChem (CID 162273196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).