3-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzothiophen-3-id-2-yl)benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

C57H53GeIrN3S-2 — CID 156657784

About 3-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzothiophen-3-id-2-yl)benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

3-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzothiophen-3-id-2-yl)benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (PubChem CID 156657784) has the molecular formula C57H53GeIrN3S-2 and a molecular weight of 1076.97 g/mol. Its IUPAC name is 3-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzothiophen-3-id-2-yl)benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

Molecular Properties

• Compound Name: 3-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzothiophen-3-id-2-yl)benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• PubChem CID: 156657784
• Molecular Formula: C57H53GeIrN3S-2
• Molecular Weight: 1076.97 g/mol
• Exact Mass: 1078.28
• IUPAC Name: 3-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzothiophen-3-id-2-yl)benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• SMILES: CC(C)(C)c1ccc(-n2c(-c3[c-]cc4sc5ccccc5c4c3)nc3c4ccccc4ccc32)c(-c2ccccc2)c1.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir]
• InChI: InChI=1S/C39H29N2S.C18H24GeN.Ir/c1-39(2,3)28-19-21-33(31(24-28)25-11-5-4-6-12-25)41-34-20-17-26-13-7-8-14-29(26)37(34)40-38(41)27-18-22-36-32(23-27)30-15-9-10-16-35(30)42-36;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h4-17,19-24H,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: HIZDDZRXUMPZOK-UHFFFAOYSA-N
• XLogP: 15.27
• TPSA: 30.71 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1076.97
LogP ≤ 5	15.27
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 3-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzothiophen-3-id-2-yl)benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The IUPAC name of 3-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzothiophen-3-id-2-yl)benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (CID 156657784) is 3-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzothiophen-3-id-2-yl)benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

What is the SMILES notation for 3-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzothiophen-3-id-2-yl)benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The canonical SMILES for 3-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzothiophen-3-id-2-yl)benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is CC(C)(C)c1ccc(-n2c(-c3[c-]cc4sc5ccccc5c4c3)nc3c4ccccc4ccc32)c(-c2ccccc2)c1.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].

What is the InChIKey of 3-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzothiophen-3-id-2-yl)benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The InChIKey is HIZDDZRXUMPZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29N2S.C18H24GeN.Ir/c1-39(2,3)28-19-21-33(31(24-28)25-11-5-4-6-12-25)41-34-20-17-26-13-7-8-14-29(26)37(34)40-38(41)27-18-22-36-32(23-27)30-15-9-10-16-35(30)42-36;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h4-17,19-24H,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.

What are the key properties of 3-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzothiophen-3-id-2-yl)benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

3-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzothiophen-3-id-2-yl)benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane has a molecular weight of 1076.97 g/mol, XLogP of 15.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzothiophen-3-id-2-yl)benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is sourced from PubChem (CID 156657784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).