bis([2-(4-carbazol-9-ylphenyl)-4-methylphenyl]-[3,5-dimethyl-4-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]-diphenylsilane);[2-(4-carbazol-9-ylphenyl)-4-methylphenyl]methyl-[3,5-dimethyl-4-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]-diphenylsilane;iridium(3+)

C190H158IrN9Si3 — CID 58947213

About bis([2-(4-carbazol-9-ylphenyl)-4-methylphenyl]-[3,5-dimethyl-4-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]-diphenylsilane);[2-(4-carbazol-9-ylphenyl)-4-methylphenyl]methyl-[3,5-dimethyl-4-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]-diphenylsilane;iridium(3+)

bis([2-(4-carbazol-9-ylphenyl)-4-methylphenyl]-[3,5-dimethyl-4-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]-diphenylsilane);[2-(4-carbazol-9-ylphenyl)-4-methylphenyl]methyl-[3,5-dimethyl-4-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]-diphenylsilane;iridium(3+) (PubChem CID 58947213) has the molecular formula C190H158IrN9Si3 and a molecular weight of 2843.89 g/mol. Its IUPAC name is bis([2-(4-carbazol-9-ylphenyl)-4-methylphenyl]-[3,5-dimethyl-4-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]-diphenylsilane);[2-(4-carbazol-9-ylphenyl)-4-methylphenyl]methyl-[3,5-dimethyl-4-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]-diphenylsilane;iridium(3+).

Molecular Properties

• Compound Name: bis([2-(4-carbazol-9-ylphenyl)-4-methylphenyl]-[3,5-dimethyl-4-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]-diphenylsilane);[2-(4-carbazol-9-ylphenyl)-4-methylphenyl]methyl-[3,5-dimethyl-4-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]-diphenylsilane;iridium(3+)
• PubChem CID: 58947213
• Molecular Formula: C190H158IrN9Si3
• Molecular Weight: 2843.89 g/mol
• Exact Mass: 2842.16
• IUPAC Name: bis([2-(4-carbazol-9-ylphenyl)-4-methylphenyl]-[3,5-dimethyl-4-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]-diphenylsilane);[2-(4-carbazol-9-ylphenyl)-4-methylphenyl]methyl-[3,5-dimethyl-4-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]-diphenylsilane;iridium(3+)
• SMILES: Cc1cc(C)c(-n2ccnc2-c2[c-]ccc(-c3c(C)cc([Si](Cc4ccc(C)cc4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)(c4ccccc4)c4ccccc4)cc3C)c2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]ccc(-c3c(C)cc([Si](c4ccccc4)(c4ccccc4)c4ccc(C)cc4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3C)c2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]ccc(-c3c(C)cc([Si](c4ccccc4)(c4ccccc4)c4ccc(C)cc4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3C)c2)c(C)c1.[Ir+3]
• InChI: InChI=1S/C64H54N3Si.2C63H52N3Si.Ir/c1-43-28-29-52(59(38-43)49-30-32-53(33-31-49)67-60-26-15-13-24-57(60)58-25-14-16-27-61(58)67)42-68(54-20-9-7-10-21-54,55-22-11-8-12-23-55)56-39-45(3)62(46(4)40-56)50-18-17-19-51(41-50)64-65-34-35-66(64)63-47(5)36-44(2)37-48(63)6;2*1-42-28-33-60(57(38-42)48-29-31-51(32-30-48)66-58-26-15-13-24-55(58)56-25-14-16-27-59(56)66)67(52-20-9-7-10-21-52,53-22-11-8-12-23-53)54-39-44(3)61(45(4)40-54)49-18-17-19-50(41-49)63-64-34-35-65(63)62-46(5)36-43(2)37-47(62)6;/h7-18,20-41H,42H2,1-6H3;2*7-18,20-41H,1-6H3;/q3*-1;+3
• InChIKey: OOOAWGJDCJNMTN-UHFFFAOYSA-N
• XLogP: 39.87
• TPSA: 68.25 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 28
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2843.89
LogP ≤ 5	39.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis([2-(4-carbazol-9-ylphenyl)-4-methylphenyl]-[3,5-dimethyl-4-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]-diphenylsilane);[2-(4-carbazol-9-ylphenyl)-4-methylphenyl]methyl-[3,5-dimethyl-4-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]-diphenylsilane;iridium(3+)?

The IUPAC name of bis([2-(4-carbazol-9-ylphenyl)-4-methylphenyl]-[3,5-dimethyl-4-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]-diphenylsilane);[2-(4-carbazol-9-ylphenyl)-4-methylphenyl]methyl-[3,5-dimethyl-4-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]-diphenylsilane;iridium(3+) (CID 58947213) is bis([2-(4-carbazol-9-ylphenyl)-4-methylphenyl]-[3,5-dimethyl-4-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]-diphenylsilane);[2-(4-carbazol-9-ylphenyl)-4-methylphenyl]methyl-[3,5-dimethyl-4-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]-diphenylsilane;iridium(3+).

What is the SMILES notation for bis([2-(4-carbazol-9-ylphenyl)-4-methylphenyl]-[3,5-dimethyl-4-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]-diphenylsilane);[2-(4-carbazol-9-ylphenyl)-4-methylphenyl]methyl-[3,5-dimethyl-4-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]-diphenylsilane;iridium(3+)?

The canonical SMILES for bis([2-(4-carbazol-9-ylphenyl)-4-methylphenyl]-[3,5-dimethyl-4-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]-diphenylsilane);[2-(4-carbazol-9-ylphenyl)-4-methylphenyl]methyl-[3,5-dimethyl-4-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]-diphenylsilane;iridium(3+) is Cc1cc(C)c(-n2ccnc2-c2[c-]ccc(-c3c(C)cc([Si](Cc4ccc(C)cc4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)(c4ccccc4)c4ccccc4)cc3C)c2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]ccc(-c3c(C)cc([Si](c4ccccc4)(c4ccccc4)c4ccc(C)cc4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3C)c2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]ccc(-c3c(C)cc([Si](c4ccccc4)(c4ccccc4)c4ccc(C)cc4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3C)c2)c(C)c1.[Ir+3].

What is the InChIKey of bis([2-(4-carbazol-9-ylphenyl)-4-methylphenyl]-[3,5-dimethyl-4-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]-diphenylsilane);[2-(4-carbazol-9-ylphenyl)-4-methylphenyl]methyl-[3,5-dimethyl-4-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]-diphenylsilane;iridium(3+)?

The InChIKey is OOOAWGJDCJNMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H54N3Si.2C63H52N3Si.Ir/c1-43-28-29-52(59(38-43)49-30-32-53(33-31-49)67-60-26-15-13-24-57(60)58-25-14-16-27-61(58)67)42-68(54-20-9-7-10-21-54,55-22-11-8-12-23-55)56-39-45(3)62(46(4)40-56)50-18-17-19-51(41-50)64-65-34-35-66(64)63-47(5)36-44(2)37-48(63)6;2*1-42-28-33-60(57(38-42)48-29-31-51(32-30-48)66-58-26-15-13-24-55(58)56-25-14-16-27-59(56)66)67(52-20-9-7-10-21-52,53-22-11-8-12-23-53)54-39-44(3)61(45(4)40-54)49-18-17-19-50(41-49)63-64-34-35-65(63)62-46(5)36-43(2)37-47(62)6;/h7-18,20-41H,42H2,1-6H3;2*7-18,20-41H,1-6H3;/q3*-1;+3.

What are the key properties of bis([2-(4-carbazol-9-ylphenyl)-4-methylphenyl]-[3,5-dimethyl-4-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]-diphenylsilane);[2-(4-carbazol-9-ylphenyl)-4-methylphenyl]methyl-[3,5-dimethyl-4-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]-diphenylsilane;iridium(3+)?

bis([2-(4-carbazol-9-ylphenyl)-4-methylphenyl]-[3,5-dimethyl-4-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]-diphenylsilane);[2-(4-carbazol-9-ylphenyl)-4-methylphenyl]methyl-[3,5-dimethyl-4-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]-diphenylsilane;iridium(3+) has a molecular weight of 2843.89 g/mol, XLogP of 39.87, 28 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for bis([2-(4-carbazol-9-ylphenyl)-4-methylphenyl]-[3,5-dimethyl-4-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]-diphenylsilane);[2-(4-carbazol-9-ylphenyl)-4-methylphenyl]methyl-[3,5-dimethyl-4-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]-diphenylsilane;iridium(3+) is sourced from PubChem (CID 58947213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).