2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;[6-(3H-dibenzothiophen-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium

C55H45GeIrN3OS-2 — CID 156657398

IUPAC2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;[6-(3H-dibenzothiophen-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium
SMILESCC(C)Cc1cc(-c2[c-]ccc3c2sc2ccccc23)ncc1[Ge](C)(C)C.[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H19N2O.C24H26GeNS.Ir/c1-2-9-21(10-3-1)22-17-19-23(20-18-22)33-28-15-6-5-14-27(28)32-31(33)26-13-8-12-25-24-11-4-7-16-29(24)34-30(25)26;1-16(2)13-17-14-22(26-15-21(17)25(3,4)5)20-11-8-10-19-18-9-6-7-12-23(18)27-24(19)20;/h1-12,14-20H;6-10,12,14-16H,13H2,1-5H3;/q2*-1;
InChIKeyIAISXBXWKSPCJC-UHFFFAOYSA-N
MW1060.88 g/mol
LogP14.72
Rot. Bonds7

About 2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;[6-(3H-dibenzothiophen-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium

2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;[6-(3H-dibenzothiophen-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium (PubChem CID 156657398) has the molecular formula C55H45GeIrN3OS-2 and a molecular weight of 1060.88 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;[6-(3H-dibenzothiophen-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium.

Molecular Properties

Compound Name2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;[6-(3H-dibenzothiophen-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium
PubChem CID156657398
Molecular FormulaC55H45GeIrN3OS-2
Molecular Weight1060.88 g/mol
Exact Mass1062.21
IUPAC Name2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;[6-(3H-dibenzothiophen-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium
SMILESCC(C)Cc1cc(-c2[c-]ccc3c2sc2ccccc23)ncc1[Ge](C)(C)C.[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H19N2O.C24H26GeNS.Ir/c1-2-9-21(10-3-1)22-17-19-23(20-18-22)33-28-15-6-5-14-27(28)32-31(33)26-13-8-12-25-24-11-4-7-16-29(24)34-30(25)26;1-16(2)13-17-14-22(26-15-21(17)25(3,4)5)20-11-8-10-19-18-9-6-7-12-23(18)27-24(19)20;/h1-12,14-20H;6-10,12,14-16H,13H2,1-5H3;/q2*-1;
InChIKeyIAISXBXWKSPCJC-UHFFFAOYSA-N
XLogP14.72
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001060.88
LogP ≤ 514.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[6-[2-(3-Fluorophenyl)-3-pyridinyl]dibenzothiophen-4-yl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 138519725
2-[2-[6-[4-(2,3,4,5,6-Pentafluorophenyl)-6-[6-(2-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]isoindole
CID 155096654
iridium;1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156658298
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium
CID 156658655
1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156660200
2-(6-Dibenzothiophen-3-yl-7-fluoro-3-methyldibenzofuran-4-yl)-1-methyl-3-phenylimidazol-1-ium
CID 164849420
iridium;2-[7-(5,5,6,6,7,7,8,8-octafluoronaphthalen-2-yl)-3H-dibenzofuran-3-id-4-yl]-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenylpyridine
CID 165383612
iridium;6,6,7,7,8,8,9,9-octafluoro-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;2-phenylpyridine
CID 165383694
2-(3H-dibenzofuran-3-id-4-yl)-6,6,7,7,8,8,9,9-octafluoro-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;iridium;2-phenylpyridine
CID 165383754
iridium;2-(1,1,2,2,3,3,4,4-octafluoro-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenylpyridine
CID 165383787
1-[2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 167332505
7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 167339143

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;[6-(3H-dibenzothiophen-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium?
The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;[6-(3H-dibenzothiophen-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium (CID 156657398) is 2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;[6-(3H-dibenzothiophen-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium.
What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;[6-(3H-dibenzothiophen-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium?
The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;[6-(3H-dibenzothiophen-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium is CC(C)Cc1cc(-c2[c-]ccc3c2sc2ccccc23)ncc1[Ge](C)(C)C.[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;[6-(3H-dibenzothiophen-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium?
The InChIKey is IAISXBXWKSPCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N2O.C24H26GeNS.Ir/c1-2-9-21(10-3-1)22-17-19-23(20-18-22)33-28-15-6-5-14-27(28)32-31(33)26-13-8-12-25-24-11-4-7-16-29(24)34-30(25)26;1-16(2)13-17-14-22(26-15-21(17)25(3,4)5)20-11-8-10-19-18-9-6-7-12-23(18)27-24(19)20;/h1-12,14-20H;6-10,12,14-16H,13H2,1-5H3;/q2*-1;.
What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;[6-(3H-dibenzothiophen-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium?
2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;[6-(3H-dibenzothiophen-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium has a molecular weight of 1060.88 g/mol, XLogP of 14.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;[6-(3H-dibenzothiophen-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium is sourced from PubChem (CID 156657398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).