8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

C44H42FGeIrN5S-2 — CID 156668226

IUPAC8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1cc(-n2c(-c3[c-]cc(C)c4c3sc3nc(F)ccc34)nc3ccccc32)cc(C)n1.[Ir]
InChIInChI=1S/C26H18FN4S.C18H24GeN.Ir/c1-14-8-9-19(24-23(14)18-10-11-22(27)30-26(18)32-24)25-29-20-6-4-5-7-21(20)31(25)17-12-15(2)28-16(3)13-17;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h4-8,10-13H,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeyAHJFLSXNCDIBCZ-UHFFFAOYSA-N
MW956.75 g/mol
LogP11.00
Rot. Bonds6

About 8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (PubChem CID 156668226) has the molecular formula C44H42FGeIrN5S-2 and a molecular weight of 956.75 g/mol. Its IUPAC name is 8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

Molecular Properties

Compound Name8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
PubChem CID156668226
Molecular FormulaC44H42FGeIrN5S-2
Molecular Weight956.75 g/mol
Exact Mass958.20
IUPAC Name8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1cc(-n2c(-c3[c-]cc(C)c4c3sc3nc(F)ccc34)nc3ccccc32)cc(C)n1.[Ir]
InChIInChI=1S/C26H18FN4S.C18H24GeN.Ir/c1-14-8-9-19(24-23(14)18-10-11-22(27)30-26(18)32-24)25-29-20-6-4-5-7-21(20)31(25)17-12-15(2)28-16(3)13-17;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h4-8,10-13H,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeyAHJFLSXNCDIBCZ-UHFFFAOYSA-N
XLogP11.00
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500956.75
LogP ≤ 511.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane with MolForge

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Related Compounds

8-(1-ethylbenzimidazol-2-yl)-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156671765
iridium;1-naphthalen-2-yl-2-(1,6,8-trifluoro-3H-dibenzothiophen-3-id-4-yl)benzimidazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156658020
2-(2,6-dimethylphenyl)-5-methyl-8-(1-methylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156670219
8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium
CID 156668907
iridium;2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 162776935
2-fluoro-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156671658
7-fluoro-10-[1-(2-phenylphenyl)benzimidazol-2-yl]-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156672403
2-(2,6-dimethylphenyl)-8-(1-ethylbenzimidazol-2-yl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156668507
2-(3H-dibenzofuran-3-id-4-yl)-1-dibenzothiophen-2-ylbenzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156660779
2-tert-butyl-5-methyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156670478
CID 156657486
CID 156657486
iridium;1-(4-phenylphenyl)-2-[8-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156660197

Frequently Asked Questions

What is the IUPAC name of 8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?
The IUPAC name of 8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (CID 156668226) is 8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.
What is the SMILES notation for 8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?
The canonical SMILES for 8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1cc(-n2c(-c3[c-]cc(C)c4c3sc3nc(F)ccc34)nc3ccccc32)cc(C)n1.[Ir].
What is the InChIKey of 8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?
The InChIKey is AHJFLSXNCDIBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN4S.C18H24GeN.Ir/c1-14-8-9-19(24-23(14)18-10-11-22(27)30-26(18)32-24)25-29-20-6-4-5-7-21(20)31(25)17-12-15(2)28-16(3)13-17;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h4-8,10-13H,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.
What are the key properties of 8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?
8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane has a molecular weight of 956.75 g/mol, XLogP of 11.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is sourced from PubChem (CID 156668226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).