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

C45H33GeIrN3OS-2 — CID 156659268

IUPAC2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cc3sc4ccccc4c3c2)nc1.[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C25H15N2O.C20H18GeNS.Ir/c1-2-9-17(10-3-1)27-22-15-6-5-14-21(22)26-25(27)20-13-8-12-19-18-11-4-7-16-23(18)28-24(19)20;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;/h1-12,14-16H;4-7,9-13H,1-3H3;/q2*-1;
InChIKeyNPVRCIHANANPRB-UHFFFAOYSA-N
MW928.67 g/mol
LogP11.85
Rot. Bonds4

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

2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium (PubChem CID 156659268) has the molecular formula C45H33GeIrN3OS-2 and a molecular weight of 928.67 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium.

Molecular Properties

Compound Name2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium
PubChem CID156659268
Molecular FormulaC45H33GeIrN3OS-2
Molecular Weight928.67 g/mol
Exact Mass930.12
IUPAC Name2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cc3sc4ccccc4c3c2)nc1.[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C25H15N2O.C20H18GeNS.Ir/c1-2-9-17(10-3-1)27-22-15-6-5-14-21(22)26-25(27)20-13-8-12-19-18-11-4-7-16-23(18)28-24(19)20;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;/h1-12,14-16H;4-7,9-13H,1-3H3;/q2*-1;
InChIKeyNPVRCIHANANPRB-UHFFFAOYSA-N
XLogP11.85
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500928.67
LogP ≤ 511.85
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
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
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium
CID 167355906
[22-Dibenzothiophen-2-yl-7-(3,5-difluorophenyl)-1',2'-dimethylspiro[3-oxa-22-aza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4(9),5,7,11,15(23),16,18,20-decaene-14,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane
CID 167356195
iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 168144985
4-[4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;1-(2,6-dimethylphenyl)-2-[4-(trifluoromethyl)benzene-6-id-1-yl]benzimidazole;iridium
CID 168145024

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium?
The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium (CID 156659268) is 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium.
What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium?
The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium is C[Ge](C)(C)c1ccc(-c2[c-]cc3sc4ccccc4c3c2)nc1.[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium?
The InChIKey is NPVRCIHANANPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15N2O.C20H18GeNS.Ir/c1-2-9-17(10-3-1)27-22-15-6-5-14-21(22)26-25(27)20-13-8-12-19-18-11-4-7-16-23(18)28-24(19)20;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;/h1-12,14-16H;4-7,9-13H,1-3H3;/q2*-1;.
What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium?
2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium has a molecular weight of 928.67 g/mol, XLogP of 11.85, 4 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-phenylbenzimidazole;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium is sourced from PubChem (CID 156659268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).