2-(3H-dibenzofuran-3-id-2-yl)-3-dibenzofuran-4-ylbenzo[f]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole;bis(iridium);bis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)

C110H90Ge2Ir2N6O2S-4 — CID 161201739

About 2-(3H-dibenzofuran-3-id-2-yl)-3-dibenzofuran-4-ylbenzo[f]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole;bis(iridium);bis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)

2-(3H-dibenzofuran-3-id-2-yl)-3-dibenzofuran-4-ylbenzo[f]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole;bis(iridium);bis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane) (PubChem CID 161201739) has the molecular formula C110H90Ge2Ir2N6O2S-4 and a molecular weight of 2089.69 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-2-yl)-3-dibenzofuran-4-ylbenzo[f]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole;bis(iridium);bis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane).

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-2-yl)-3-dibenzofuran-4-ylbenzo[f]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole;bis(iridium);bis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)
• PubChem CID: 161201739
• Molecular Formula: C110H90Ge2Ir2N6O2S-4
• Molecular Weight: 2089.69 g/mol
• Exact Mass: 2092.45
• IUPAC Name: 2-(3H-dibenzofuran-3-id-2-yl)-3-dibenzofuran-4-ylbenzo[f]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole;bis(iridium);bis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)
• SMILES: CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].[Ir].[c-]1cc2oc3ccccc3c2cc1-c1nc2cc3ccccc3cc2n1-c1cccc2c1oc1ccccc12.[c-]1cc2sc3ccccc3c2cc1-c1nc2c3ccccc3ccc2n1-c1c(-c2ccccc2)ccc2ccccc12
• InChI: InChI=1S/C39H23N2S.C35H19N2O2.2C18H24GeN.2Ir/c1-2-10-25(11-3-1)31-21-18-27-13-5-7-15-30(27)38(31)41-34-22-19-26-12-4-6-14-29(26)37(34)40-39(41)28-20-23-36-33(24-28)32-16-8-9-17-35(32)42-36;1-2-9-22-20-30-28(19-21(22)8-1)36-35(23-16-17-33-27(18-23)25-11-4-5-14-31(25)38-33)37(30)29-13-7-12-26-24-10-3-6-15-32(24)39-34(26)29;2*1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;;/h1-19,21-24H;1-15,17-20H;2*6-9,12-14H,11H2,1-5H3;;/q4*-1
• InChIKey: AQIHCRAKFYXBJT-UHFFFAOYSA-N
• XLogP: 28.86
• TPSA: 87.70 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2089.69
LogP ≤ 5	28.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-2-yl)-3-dibenzofuran-4-ylbenzo[f]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole;bis(iridium);bis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)?

The IUPAC name of 2-(3H-dibenzofuran-3-id-2-yl)-3-dibenzofuran-4-ylbenzo[f]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole;bis(iridium);bis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane) (CID 161201739) is 2-(3H-dibenzofuran-3-id-2-yl)-3-dibenzofuran-4-ylbenzo[f]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole;bis(iridium);bis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane).

What is the SMILES notation for 2-(3H-dibenzofuran-3-id-2-yl)-3-dibenzofuran-4-ylbenzo[f]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole;bis(iridium);bis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)?

The canonical SMILES for 2-(3H-dibenzofuran-3-id-2-yl)-3-dibenzofuran-4-ylbenzo[f]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole;bis(iridium);bis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane) is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].[Ir].[c-]1cc2oc3ccccc3c2cc1-c1nc2cc3ccccc3cc2n1-c1cccc2c1oc1ccccc12.[c-]1cc2sc3ccccc3c2cc1-c1nc2c3ccccc3ccc2n1-c1c(-c2ccccc2)ccc2ccccc12.

What is the InChIKey of 2-(3H-dibenzofuran-3-id-2-yl)-3-dibenzofuran-4-ylbenzo[f]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole;bis(iridium);bis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)?

The InChIKey is AQIHCRAKFYXBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N2S.C35H19N2O2.2C18H24GeN.2Ir/c1-2-10-25(11-3-1)31-21-18-27-13-5-7-15-30(27)38(31)41-34-22-19-26-12-4-6-14-29(26)37(34)40-39(41)28-20-23-36-33(24-28)32-16-8-9-17-35(32)42-36;1-2-9-22-20-30-28(19-21(22)8-1)36-35(23-16-17-33-27(18-23)25-11-4-5-14-31(25)38-33)37(30)29-13-7-12-26-24-10-3-6-15-32(24)39-34(26)29;2*1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;;/h1-19,21-24H;1-15,17-20H;2*6-9,12-14H,11H2,1-5H3;;/q4*-1;;.

What are the key properties of 2-(3H-dibenzofuran-3-id-2-yl)-3-dibenzofuran-4-ylbenzo[f]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole;bis(iridium);bis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)?

2-(3H-dibenzofuran-3-id-2-yl)-3-dibenzofuran-4-ylbenzo[f]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole;bis(iridium);bis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane) has a molecular weight of 2089.69 g/mol, XLogP of 28.86, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-dibenzofuran-3-id-2-yl)-3-dibenzofuran-4-ylbenzo[f]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole;bis(iridium);bis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane) is sourced from PubChem (CID 161201739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).