3-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-2-yl)benzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(4-phenylphenyl)benzo[f]benzimidazole;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-3-naphthalen-1-ylbenzo[f]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)

C211H196Ge4Ir4N12O2S-8 — CID 157229084

About 3-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-2-yl)benzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(4-phenylphenyl)benzo[f]benzimidazole;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-3-naphthalen-1-ylbenzo[f]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)

3-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-2-yl)benzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(4-phenylphenyl)benzo[f]benzimidazole;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-3-naphthalen-1-ylbenzo[f]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane) (PubChem CID 157229084) has the molecular formula C211H196Ge4Ir4N12O2S-8 and a molecular weight of 4023.35 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-2-yl)benzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(4-phenylphenyl)benzo[f]benzimidazole;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-3-naphthalen-1-ylbenzo[f]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane).

Molecular Properties

• Compound Name: 3-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-2-yl)benzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(4-phenylphenyl)benzo[f]benzimidazole;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-3-naphthalen-1-ylbenzo[f]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)
• PubChem CID: 157229084
• Molecular Formula: C211H196Ge4Ir4N12O2S-8
• Molecular Weight: 4023.35 g/mol
• Exact Mass: 4029.07
• IUPAC Name: 3-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-2-yl)benzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(4-phenylphenyl)benzo[f]benzimidazole;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-3-naphthalen-1-ylbenzo[f]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)
• SMILES: CC(C)(C)c1ccc(-n2c(-c3[c-]cc4oc5ccccc5c4c3)nc3c4ccccc4ccc32)cc1.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]cc3oc4ccccc4c3c2)nc2ccc3ccccc3c21.CC1(C)c2c[c-]c(-c3nc4cc5ccccc5cc4n3-c3cccc4ccccc34)cc2-c2ccccc21.[Ir].[Ir].[Ir].[Ir].[c-]1cc2sc3ccccc3c2cc1-c1nc2cc3ccccc3cc2n1-c1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/C36H25N2.C35H29N2O.C35H21N2S.C33H25N2O.4C18H24GeN.4Ir/c1-36(2)30-16-8-7-15-28(30)29-20-26(18-19-31(29)36)35-37-32-21-24-11-3-4-12-25(24)22-34(32)38(35)33-17-9-13-23-10-5-6-14-27(23)33;1-21(2)25-13-9-14-26(22(3)4)33(25)37-34-27-11-6-5-10-23(27)16-18-30(34)36-35(37)24-17-19-32-29(20-24)28-12-7-8-15-31(28)38-32;1-2-8-23(9-3-1)24-14-17-28(18-15-24)37-32-22-26-11-5-4-10-25(26)21-31(32)36-35(37)27-16-19-34-30(20-27)29-12-6-7-13-33(29)38-34;1-33(2,3)23-14-16-24(17-15-23)35-28-18-12-21-8-4-5-9-25(21)31(28)34-32(35)22-13-19-30-27(20-22)26-10-6-7-11-29(26)36-30;4*1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;;;;/h3-17,19-22H,1-2H3;5-16,18-22H,1-4H3;1-15,17-22H;4-12,14-20H,1-3H3;4*6-9,12-14H,11H2,1-5H3;;;;/q8*-1
• InChIKey: IZAQIUHCODKULC-UHFFFAOYSA-N
• XLogP: 54.58
• TPSA: 149.12 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 27
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4023.35
LogP ≤ 5	54.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

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-butylphenyl)-2-(3H-dibenzofuran-3-id-2-yl)benzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(4-phenylphenyl)benzo[f]benzimidazole;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-3-naphthalen-1-ylbenzo[f]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)?

The IUPAC name of 3-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-2-yl)benzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(4-phenylphenyl)benzo[f]benzimidazole;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-3-naphthalen-1-ylbenzo[f]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane) (CID 157229084) is 3-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-2-yl)benzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(4-phenylphenyl)benzo[f]benzimidazole;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-3-naphthalen-1-ylbenzo[f]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane).

What is the SMILES notation for 3-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-2-yl)benzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(4-phenylphenyl)benzo[f]benzimidazole;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-3-naphthalen-1-ylbenzo[f]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)?

The canonical SMILES for 3-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-2-yl)benzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(4-phenylphenyl)benzo[f]benzimidazole;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-3-naphthalen-1-ylbenzo[f]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane) is CC(C)(C)c1ccc(-n2c(-c3[c-]cc4oc5ccccc5c4c3)nc3c4ccccc4ccc32)cc1.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]cc3oc4ccccc4c3c2)nc2ccc3ccccc3c21.CC1(C)c2c[c-]c(-c3nc4cc5ccccc5cc4n3-c3cccc4ccccc34)cc2-c2ccccc21.[Ir].[Ir].[Ir].[Ir].[c-]1cc2sc3ccccc3c2cc1-c1nc2cc3ccccc3cc2n1-c1ccc(-c2ccccc2)cc1.

What is the InChIKey of 3-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-2-yl)benzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(4-phenylphenyl)benzo[f]benzimidazole;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-3-naphthalen-1-ylbenzo[f]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)?

The InChIKey is IZAQIUHCODKULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N2.C35H29N2O.C35H21N2S.C33H25N2O.4C18H24GeN.4Ir/c1-36(2)30-16-8-7-15-28(30)29-20-26(18-19-31(29)36)35-37-32-21-24-11-3-4-12-25(24)22-34(32)38(35)33-17-9-13-23-10-5-6-14-27(23)33;1-21(2)25-13-9-14-26(22(3)4)33(25)37-34-27-11-6-5-10-23(27)16-18-30(34)36-35(37)24-17-19-32-29(20-24)28-12-7-8-15-31(28)38-32;1-2-8-23(9-3-1)24-14-17-28(18-15-24)37-32-22-26-11-5-4-10-25(26)21-31(32)36-35(37)27-16-19-34-30(20-27)29-12-6-7-13-33(29)38-34;1-33(2,3)23-14-16-24(17-15-23)35-28-18-12-21-8-4-5-9-25(21)31(28)34-32(35)22-13-19-30-27(20-22)26-10-6-7-11-29(26)36-30;4*1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;;;;/h3-17,19-22H,1-2H3;5-16,18-22H,1-4H3;1-15,17-22H;4-12,14-20H,1-3H3;4*6-9,12-14H,11H2,1-5H3;;;;/q8*-1;;;;.

What are the key properties of 3-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-2-yl)benzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(4-phenylphenyl)benzo[f]benzimidazole;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-3-naphthalen-1-ylbenzo[f]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)?

3-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-2-yl)benzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(4-phenylphenyl)benzo[f]benzimidazole;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-3-naphthalen-1-ylbenzo[f]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane) has a molecular weight of 4023.35 g/mol, XLogP of 54.58, 27 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-2-yl)benzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(4-phenylphenyl)benzo[f]benzimidazole;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-3-naphthalen-1-ylbenzo[f]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane) is sourced from PubChem (CID 157229084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).