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

C53H43IrN3OSSi-2 — CID 156657223

IUPAC3-dibenzofuran-4-yl-2-(3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir].[c-]1ccc2c(sc3ccccc32)c1-c1nc2cc3ccccc3cc2n1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C35H19N2OS.C18H24NSi.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)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h1-14,16-20H;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeyWVTRGXHYSMKWAI-UHFFFAOYSA-N
MW990.32 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]silane

3-dibenzofuran-4-yl-2-(3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (PubChem CID 156657223) has the molecular formula C53H43IrN3OSSi-2 and a molecular weight of 990.32 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]silane.

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]silane
PubChem CID156657223
Molecular FormulaC53H43IrN3OSSi-2
Molecular Weight990.32 g/mol
Exact Mass990.25
IUPAC Name3-dibenzofuran-4-yl-2-(3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir].[c-]1ccc2c(sc3ccccc32)c1-c1nc2cc3ccccc3cc2n1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C35H19N2OS.C18H24NSi.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)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h1-14,16-20H;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeyWVTRGXHYSMKWAI-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 ≤ 500990.32
LogP ≤ 514.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-tert-butyl-2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;4-[4-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-3H-dibenzothiophen-3-id-1-yl]benzonitrile;1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,6-diphenylphenyl)-2-[5-(4-fluorophenyl)-9H-naphtho[2,1-b][1]benzothiol-9-id-8-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole;hexakis(iridium);hexakis(trimethyl-(6-phenyl-3-pyridinyl)silane)
CID 160814657
[22-Dibenzofuran-4-yl-10'-fluoro-2',9'-dimethyl-11-(4-methylphenyl)spiro[3-oxa-22-aza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene-14,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane
CID 167355673
[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
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
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-(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]silane?
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]silane (CID 156657223) is 3-dibenzofuran-4-yl-2-(3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.
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]silane?
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]silane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](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]silane?
The InChIKey is WVTRGXHYSMKWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H19N2OS.C18H24NSi.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)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(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]silane?
3-dibenzofuran-4-yl-2-(3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane has a molecular weight of 990.32 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]silane is sourced from PubChem (CID 156657223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).