2-(6,9-dimethyl-3H-dibenzothiophen-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;[4-(2,2-dimethylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium

C64H65GeIrN3S-2 — CID 162776812

About 2-(6,9-dimethyl-3H-dibenzothiophen-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;[4-(2,2-dimethylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium

2-(6,9-dimethyl-3H-dibenzothiophen-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;[4-(2,2-dimethylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium (PubChem CID 162776812) has the molecular formula C64H65GeIrN3S-2 and a molecular weight of 1173.14 g/mol. Its IUPAC name is 2-(6,9-dimethyl-3H-dibenzothiophen-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;[4-(2,2-dimethylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium.

Molecular Properties

• Compound Name: 2-(6,9-dimethyl-3H-dibenzothiophen-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;[4-(2,2-dimethylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium
• PubChem CID: 162776812
• Molecular Formula: C64H65GeIrN3S-2
• Molecular Weight: 1173.14 g/mol
• Exact Mass: 1174.38
• IUPAC Name: 2-(6,9-dimethyl-3H-dibenzothiophen-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;[4-(2,2-dimethylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium
• SMILES: CC(C)(C)Cc1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Ge](C)(C)C.Cc1ccc(C)c2c1sc1c(-c3nc4ccccc4n3-c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)[c-]ccc12.[Ir]
• InChI: InChI=1S/C39H35N2S.C25H30GeN.Ir/c1-23(2)31-21-28(27-13-8-7-9-14-27)22-32(24(3)4)36(31)41-34-18-11-10-17-33(34)40-39(41)30-16-12-15-29-35-25(5)19-20-26(6)37(35)42-38(29)30;1-25(2,3)17-22-16-24(27-18-23(22)26(4,5)6)21-14-10-13-20(15-21)19-11-8-7-9-12-19;/h7-15,17-24H,1-6H3;7-13,15-16,18H,17H2,1-6H3;/q2*-1
• InChIKey: FRAIIPQPBJGFNA-UHFFFAOYSA-N
• XLogP: 17.74
• TPSA: 30.71 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1173.14
LogP ≤ 5	17.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(6,9-dimethyl-3H-dibenzothiophen-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;[4-(2,2-dimethylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium?

The IUPAC name of 2-(6,9-dimethyl-3H-dibenzothiophen-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;[4-(2,2-dimethylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium (CID 162776812) is 2-(6,9-dimethyl-3H-dibenzothiophen-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;[4-(2,2-dimethylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium.

What is the SMILES notation for 2-(6,9-dimethyl-3H-dibenzothiophen-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;[4-(2,2-dimethylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium?

The canonical SMILES for 2-(6,9-dimethyl-3H-dibenzothiophen-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;[4-(2,2-dimethylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium is CC(C)(C)Cc1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Ge](C)(C)C.Cc1ccc(C)c2c1sc1c(-c3nc4ccccc4n3-c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)[c-]ccc12.[Ir].

What is the InChIKey of 2-(6,9-dimethyl-3H-dibenzothiophen-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;[4-(2,2-dimethylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium?

The InChIKey is FRAIIPQPBJGFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H35N2S.C25H30GeN.Ir/c1-23(2)31-21-28(27-13-8-7-9-14-27)22-32(24(3)4)36(31)41-34-18-11-10-17-33(34)40-39(41)30-16-12-15-29-35-25(5)19-20-26(6)37(35)42-38(29)30;1-25(2,3)17-22-16-24(27-18-23(22)26(4,5)6)21-14-10-13-20(15-21)19-11-8-7-9-12-19;/h7-15,17-24H,1-6H3;7-13,15-16,18H,17H2,1-6H3;/q2*-1;.

What are the key properties of 2-(6,9-dimethyl-3H-dibenzothiophen-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;[4-(2,2-dimethylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium?

2-(6,9-dimethyl-3H-dibenzothiophen-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;[4-(2,2-dimethylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium has a molecular weight of 1173.14 g/mol, XLogP of 17.74, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6,9-dimethyl-3H-dibenzothiophen-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;[4-(2,2-dimethylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium is sourced from PubChem (CID 162776812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).