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

C53H43GeIrN3OS-2 — CID 156659808

IUPAC3-dibenzofuran-4-yl-2-(3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].[c-]1ccc2c(sc3ccccc32)c1-c1nc2cc3ccccc3cc2n1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C35H19N2OS.C18H24GeN.Ir/c1-2-10-22-20-30-28(19-21(22)9-1)36-35(27-15-7-14-26-24-12-4-6-18-32(24)39-34(26)27)37(30)29-16-8-13-25-23-11-3-5-17-31(23)38-33(25)29;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h1-14,16-20H;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeyLJQHRSKDOVYAFV-UHFFFAOYSA-N
MW1034.84 g/mol
LogP14.20
Rot. Bonds6

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

3-dibenzofuran-4-yl-2-(3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (PubChem CID 156659808) has the molecular formula C53H43GeIrN3OS-2 and a molecular weight of 1034.84 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-2-(3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-2-(3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
PubChem CID156659808
Molecular FormulaC53H43GeIrN3OS-2
Molecular Weight1034.84 g/mol
Exact Mass1036.20
IUPAC Name3-dibenzofuran-4-yl-2-(3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].[c-]1ccc2c(sc3ccccc32)c1-c1nc2cc3ccccc3cc2n1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C35H19N2OS.C18H24GeN.Ir/c1-2-10-22-20-30-28(19-21(22)9-1)36-35(27-15-7-14-26-24-12-4-6-18-32(24)39-34(26)27)37(30)29-16-8-13-25-23-11-3-5-17-31(23)38-33(25)29;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h1-14,16-20H;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeyLJQHRSKDOVYAFV-UHFFFAOYSA-N
XLogP14.20
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001034.84
LogP ≤ 514.20
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

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
3-(8-Fluorodibenzofuran-4-yl)-2-(1-methyldibenzothiophen-4-yl)benzo[f]benzimidazole
CID 156657679
1-Dibenzofuran-4-yl-2-(7-fluoro-1-methyldibenzothiophen-4-yl)benzimidazole
CID 156660303
3-Dibenzofuran-4-yl-2-(1-fluorodibenzothiophen-4-yl)benzo[f]benzimidazole
CID 156660491
8-(1-Dibenzofuran-4-ylbenzimidazol-2-yl)-5-(4-fluorophenyl)-[1]benzothiolo[2,3-b]pyridine
CID 156667854
8-(1-Dibenzofuran-4-ylbenzimidazol-2-yl)-2-fluoro-5-methyl-[1]benzothiolo[2,3-b]pyridine
CID 156671031
2-Dibenzothiophen-4-yl-3-(8-fluorodibenzofuran-4-yl)benzo[f]benzimidazole
CID 167355045
1-Dibenzofuran-4-yl-2-[1-(4-fluorophenyl)dibenzothiophen-4-yl]benzimidazole
CID 171435798
9-Fluoro-4-[1-(1-methyldibenzofuran-4-yl)benzimidazol-2-yl]-[1]benzothiolo[2,3-b]quinoline
CID 176644217
8-(1-Dibenzofuran-4-yl-5-fluorobenzimidazol-2-yl)-2-fluoro-5-methyl-[1]benzothiolo[2,3-b]pyridine
CID 176644274
8-(3-Dibenzofuran-4-ylbenzo[f]benzimidazol-2-yl)-5-fluoro-2-methyl-[1]benzothiolo[2,3-b]pyridine
CID 176644318
9-Fluoro-4-[3-(1-methyldibenzofuran-4-yl)benzo[f]benzimidazol-2-yl]-[1]benzothiolo[2,3-b]quinoline
CID 176644435

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-2-(3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?
The IUPAC name of 3-dibenzofuran-4-yl-2-(3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (CID 156659808) is 3-dibenzofuran-4-yl-2-(3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.
What is the SMILES notation for 3-dibenzofuran-4-yl-2-(3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?
The canonical SMILES for 3-dibenzofuran-4-yl-2-(3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].[c-]1ccc2c(sc3ccccc32)c1-c1nc2cc3ccccc3cc2n1-c1cccc2c1oc1ccccc12.
What is the InChIKey of 3-dibenzofuran-4-yl-2-(3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?
The InChIKey is LJQHRSKDOVYAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H19N2OS.C18H24GeN.Ir/c1-2-10-22-20-30-28(19-21(22)9-1)36-35(27-15-7-14-26-24-12-4-6-18-32(24)39-34(26)27)37(30)29-16-8-13-25-23-11-3-5-17-31(23)38-33(25)29;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h1-14,16-20H;6-9,12-14H,11H2,1-5H3;/q2*-1;.
What are the key properties of 3-dibenzofuran-4-yl-2-(3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?
3-dibenzofuran-4-yl-2-(3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane has a molecular weight of 1034.84 g/mol, XLogP of 14.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-2-(3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is sourced from PubChem (CID 156659808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).