6-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-4-fluoro-2-phenyl-7H-[1]benzothiolo[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane

C50H35FIrN4S2Si-2 — CID 156671787

IUPAC6-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-4-fluoro-2-phenyl-7H-[1]benzothiolo[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
SMILESC[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Fc1cc(-c2ccccc2)nc2c1sc1c(-c3nc4ccccc4n3-c3ccc4sc5ccccc5c4c3)[c-]ccc12.[Ir]
InChIInChI=1S/C36H19FN3S2.C14H16NSi.Ir/c37-27-20-29(21-9-2-1-3-10-21)38-33-24-12-8-13-25(34(24)42-35(27)33)36-39-28-14-5-6-15-30(28)40(36)22-17-18-32-26(19-22)23-11-4-7-16-31(23)41-32;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h1-12,14-20H;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyXMEDYNVBOKADDL-UHFFFAOYSA-N
MW995.29 g/mol
LogP13.52
Rot. Bonds5

About 6-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-4-fluoro-2-phenyl-7H-[1]benzothiolo[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane

6-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-4-fluoro-2-phenyl-7H-[1]benzothiolo[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (PubChem CID 156671787) has the molecular formula C50H35FIrN4S2Si-2 and a molecular weight of 995.29 g/mol. Its IUPAC name is 6-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-4-fluoro-2-phenyl-7H-[1]benzothiolo[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.

Molecular Properties

Compound Name6-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-4-fluoro-2-phenyl-7H-[1]benzothiolo[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
PubChem CID156671787
Molecular FormulaC50H35FIrN4S2Si-2
Molecular Weight995.29 g/mol
Exact Mass995.17
IUPAC Name6-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-4-fluoro-2-phenyl-7H-[1]benzothiolo[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
SMILESC[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Fc1cc(-c2ccccc2)nc2c1sc1c(-c3nc4ccccc4n3-c3ccc4sc5ccccc5c4c3)[c-]ccc12.[Ir]
InChIInChI=1S/C36H19FN3S2.C14H16NSi.Ir/c37-27-20-29(21-9-2-1-3-10-21)38-33-24-12-8-13-25(34(24)42-35(27)33)36-39-28-14-5-6-15-30(28)40(36)22-17-18-32-26(19-22)23-11-4-7-16-31(23)41-32;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h1-12,14-20H;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyXMEDYNVBOKADDL-UHFFFAOYSA-N
XLogP13.52
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500995.29
LogP ≤ 513.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[3,5-bis(trideuteriomethyl)phenyl]-8-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156670631
8-(1-dibenzothiophen-3-ylbenzimidazol-2-yl)-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156667765
2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156658615
2-(3H-dibenzothiophen-3-id-4-yl)-3-(2,6-dimethylphenyl)benzo[f]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156658342
1-[2,6-di(propan-2-yl)phenyl]-2-[7-[4-(trideuteriomethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156659255
3-[2,6-di(propan-2-yl)phenyl]-2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)imidazo[4,5-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156659677
2-(3H-dibenzofuran-3-id-4-yl)-1-dibenzothiophen-2-ylbenzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156660779
iridium;21-(3H-naphtho[2,3-b][1]benzothiol-3-id-4-yl)-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8,10,12,14,16,18,21,23,25-tridecaene;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 176784321
8-(1-dibenzothiophen-3-ylbenzimidazol-2-yl)-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156672203
1-(4-fluoro-3-phenylphenyl)-2-[7-(2-phenylpropan-2-yl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 167331869
iridium;2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156670299
8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156670468

Frequently Asked Questions

What is the IUPAC name of 6-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-4-fluoro-2-phenyl-7H-[1]benzothiolo[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?
The IUPAC name of 6-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-4-fluoro-2-phenyl-7H-[1]benzothiolo[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (CID 156671787) is 6-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-4-fluoro-2-phenyl-7H-[1]benzothiolo[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.
What is the SMILES notation for 6-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-4-fluoro-2-phenyl-7H-[1]benzothiolo[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?
The canonical SMILES for 6-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-4-fluoro-2-phenyl-7H-[1]benzothiolo[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Fc1cc(-c2ccccc2)nc2c1sc1c(-c3nc4ccccc4n3-c3ccc4sc5ccccc5c4c3)[c-]ccc12.[Ir].
What is the InChIKey of 6-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-4-fluoro-2-phenyl-7H-[1]benzothiolo[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?
The InChIKey is XMEDYNVBOKADDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H19FN3S2.C14H16NSi.Ir/c37-27-20-29(21-9-2-1-3-10-21)38-33-24-12-8-13-25(34(24)42-35(27)33)36-39-28-14-5-6-15-30(28)40(36)22-17-18-32-26(19-22)23-11-4-7-16-31(23)41-32;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h1-12,14-20H;4-7,9-11H,1-3H3;/q2*-1;.
What are the key properties of 6-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-4-fluoro-2-phenyl-7H-[1]benzothiolo[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?
6-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-4-fluoro-2-phenyl-7H-[1]benzothiolo[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane has a molecular weight of 995.29 g/mol, XLogP of 13.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-4-fluoro-2-phenyl-7H-[1]benzothiolo[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 156671787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).