4-carbazol-9-yl-1-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

C67H63IrN5Si-2 — CID 164741979

About 4-carbazol-9-yl-1-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

4-carbazol-9-yl-1-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (PubChem CID 164741979) has the molecular formula C67H63IrN5Si-2 and a molecular weight of 1158.58 g/mol. Its IUPAC name is 4-carbazol-9-yl-1-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

Molecular Properties

• Compound Name: 4-carbazol-9-yl-1-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
• PubChem CID: 164741979
• Molecular Formula: C67H63IrN5Si-2
• Molecular Weight: 1158.58 g/mol
• Exact Mass: 1158.45
• IUPAC Name: 4-carbazol-9-yl-1-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
• SMILES: CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]cc(-n3c4ccccc4c4ccccc43)c3c4ccccc4n(-c4ccccc4)c23)nc2ccccc21.[Ir]
• InChI: InChI=1S/C49H39N4.C18H24NSi.Ir/c1-31(2)34-22-16-23-35(32(3)4)47(34)53-44-28-15-11-24-40(44)50-49(53)39-29-30-45(52-41-25-12-8-19-36(41)37-20-9-13-26-42(37)52)46-38-21-10-14-27-43(38)51(48(39)46)33-17-6-5-7-18-33;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h5-28,30-32H,1-4H3;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: WNNCPDZTJVWYGA-UHFFFAOYSA-N
• XLogP: 17.22
• TPSA: 40.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1158.58
LogP ≤ 5	17.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-1-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The IUPAC name of 4-carbazol-9-yl-1-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (CID 164741979) is 4-carbazol-9-yl-1-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

What is the SMILES notation for 4-carbazol-9-yl-1-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The canonical SMILES for 4-carbazol-9-yl-1-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]cc(-n3c4ccccc4c4ccccc43)c3c4ccccc4n(-c4ccccc4)c23)nc2ccccc21.[Ir].

What is the InChIKey of 4-carbazol-9-yl-1-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The InChIKey is WNNCPDZTJVWYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H39N4.C18H24NSi.Ir/c1-31(2)34-22-16-23-35(32(3)4)47(34)53-44-28-15-11-24-40(44)50-49(53)39-29-30-45(52-41-25-12-8-19-36(41)37-20-9-13-26-42(37)52)46-38-21-10-14-27-43(38)51(48(39)46)33-17-6-5-7-18-33;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h5-28,30-32H,1-4H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.

What are the key properties of 4-carbazol-9-yl-1-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

4-carbazol-9-yl-1-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane has a molecular weight of 1158.58 g/mol, XLogP of 17.22, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-carbazol-9-yl-1-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is sourced from PubChem (CID 164741979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).