[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide

C50H36GeIrN4OS-2 — CID 156670700

IUPAC[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cc3oc4ccccc4c3c2)nc1.[Ir].[c-]1ccc2c(sc3nc(-c4ccccc4)ccc32)c1-c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C30H18N3S.C20H18GeNO.Ir/c1-3-10-20(11-4-1)25-19-18-23-22-14-9-15-24(28(22)34-30(23)32-25)29-31-26-16-7-8-17-27(26)33(29)21-12-5-2-6-13-21;1-21(2,3)15-9-10-18(22-13-15)14-8-11-20-17(12-14)16-6-4-5-7-19(16)23-20;/h1-14,16-19H;4-7,9-13H,1-3H3;/q2*-1;
InChIKeyOMYRODMPRCLEIQ-UHFFFAOYSA-N
MW1005.76 g/mol
LogP12.91
Rot. Bonds5

About [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide

[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide (PubChem CID 156670700) has the molecular formula C50H36GeIrN4OS-2 and a molecular weight of 1005.76 g/mol. Its IUPAC name is [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide.

Molecular Properties

Compound Name[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide
PubChem CID156670700
Molecular FormulaC50H36GeIrN4OS-2
Molecular Weight1005.76 g/mol
Exact Mass1007.15
IUPAC Name[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cc3oc4ccccc4c3c2)nc1.[Ir].[c-]1ccc2c(sc3nc(-c4ccccc4)ccc32)c1-c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C30H18N3S.C20H18GeNO.Ir/c1-3-10-20(11-4-1)25-19-18-23-22-14-9-15-24(28(22)34-30(23)32-25)29-31-26-16-7-8-17-27(26)33(29)21-12-5-2-6-13-21;1-21(2,3)15-9-10-18(22-13-15)14-8-11-20-17(12-14)16-6-4-5-7-19(16)23-20;/h1-14,16-19H;4-7,9-13H,1-3H3;/q2*-1;
InChIKeyOMYRODMPRCLEIQ-UHFFFAOYSA-N
XLogP12.91
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001005.76
LogP ≤ 512.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide with MolForge

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Related Compounds

6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156669965
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
8-(1-Dibenzofuran-4-ylbenzimidazol-2-yl)-5-(4-fluorophenyl)-[1]benzothiolo[2,3-b]pyridine
CID 156667854
8-[1-(2,4-Dimethyldibenzofuran-3-yl)benzimidazol-2-yl]-2-(5-fluoro-2-pyridinyl)-5-methyl-[1]benzothiolo[2,3-b]pyridine
CID 176643933
8-[3-[8-[6-Dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-4-(2-pyridin-2-ylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58058980
CID 59358647
CID 59358647
CID 59359069
CID 59359069
CID 59359313
CID 59359313
9-[6-Dibenzofuran-4-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]pyrido[2,3-b]indole
CID 70847783
4-Dibenzofuran-2-yl-2-(5-methylthiophen-2-yl)-1-phenylimidazole
CID 89840500
1-Dibenzofuran-2-yl-4-(5-methylthiophen-2-yl)-2-phenylimidazole
CID 89840502

Frequently Asked Questions

What is the IUPAC name of [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide?
The IUPAC name of [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide (CID 156670700) is [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide.
What is the SMILES notation for [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide?
The canonical SMILES for [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide is C[Ge](C)(C)c1ccc(-c2[c-]cc3oc4ccccc4c3c2)nc1.[Ir].[c-]1ccc2c(sc3nc(-c4ccccc4)ccc32)c1-c1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide?
The InChIKey is OMYRODMPRCLEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N3S.C20H18GeNO.Ir/c1-3-10-20(11-4-1)25-19-18-23-22-14-9-15-24(28(22)34-30(23)32-25)29-31-26-16-7-8-17-27(26)33(29)21-12-5-2-6-13-21;1-21(2,3)15-9-10-18(22-13-15)14-8-11-20-17(12-14)16-6-4-5-7-19(16)23-20;/h1-14,16-19H;4-7,9-13H,1-3H3;/q2*-1;.
What are the key properties of [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide?
[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide has a molecular weight of 1005.76 g/mol, XLogP of 12.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide is sourced from PubChem (CID 156670700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).