8-(4-tert-butyl-2-pyridinyl)-2-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

C34H32FGeIrN3O-2 — CID 164712344

IUPAC8-(4-tert-butyl-2-pyridinyl)-2-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESCC(C)(C)c1ccnc(-c2[c-]ccc3c2oc2nc(F)ccc23)c1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir]
InChIInChI=1S/C20H16FN2O.C14H16GeN.Ir/c1-20(2,3)12-9-10-22-16(11-12)15-6-4-5-13-14-7-8-17(21)23-19(14)24-18(13)15;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h4-5,7-11H,1-3H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyJIWDITMJUWEDGC-UHFFFAOYSA-N
MW782.47 g/mol
LogP8.37
Rot. Bonds3

About 8-(4-tert-butyl-2-pyridinyl)-2-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

8-(4-tert-butyl-2-pyridinyl)-2-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 164712344) has the molecular formula C34H32FGeIrN3O-2 and a molecular weight of 782.47 g/mol. Its IUPAC name is 8-(4-tert-butyl-2-pyridinyl)-2-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

Compound Name8-(4-tert-butyl-2-pyridinyl)-2-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
PubChem CID164712344
Molecular FormulaC34H32FGeIrN3O-2
Molecular Weight782.47 g/mol
Exact Mass784.14
IUPAC Name8-(4-tert-butyl-2-pyridinyl)-2-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESCC(C)(C)c1ccnc(-c2[c-]ccc3c2oc2nc(F)ccc23)c1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir]
InChIInChI=1S/C20H16FN2O.C14H16GeN.Ir/c1-20(2,3)12-9-10-22-16(11-12)15-6-4-5-13-14-7-8-17(21)23-19(14)24-18(13)15;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h4-5,7-11H,1-3H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyJIWDITMJUWEDGC-UHFFFAOYSA-N
XLogP8.37
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.47
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane
CID 164712519
5-tert-butyl-2-phenylpyridine;iridium;8-pyridin-2-yl-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 153485041
2-(8H-[1]benzothiolo[7,6-b][1]benzofuran-8-id-9-yl)-4-tert-butylpyridine;iridium;5-methyl-2-phenylpyridine
CID 168829787
2-tert-butyl-8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;5-methyl-2-phenylpyridine
CID 154591082
CID 171748043
CID 171748043
CID 164846151
CID 164846151
bis(4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine);iridium(3+);2-phenylpyridine
CID 167425260
4-tert-butyl-2-phenylpyridine;8-[4-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 168852858
CID 166588083
CID 166588083
4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;4,5-dimethyl-2-phenylpyridine;iridium
CID 176851564
2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166578231
4-tert-butyl-2-(1,2-dimethyl-8H-[1]benzothiolo[4,5-b][1]benzofuran-8-id-9-yl)pyridine;iridium;5-methyl-2-phenylpyridine
CID 168829662

Frequently Asked Questions

What is the IUPAC name of 8-(4-tert-butyl-2-pyridinyl)-2-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
The IUPAC name of 8-(4-tert-butyl-2-pyridinyl)-2-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 164712344) is 8-(4-tert-butyl-2-pyridinyl)-2-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.
What is the SMILES notation for 8-(4-tert-butyl-2-pyridinyl)-2-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
The canonical SMILES for 8-(4-tert-butyl-2-pyridinyl)-2-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is CC(C)(C)c1ccnc(-c2[c-]ccc3c2oc2nc(F)ccc23)c1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].
What is the InChIKey of 8-(4-tert-butyl-2-pyridinyl)-2-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
The InChIKey is JIWDITMJUWEDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN2O.C14H16GeN.Ir/c1-20(2,3)12-9-10-22-16(11-12)15-6-4-5-13-14-7-8-17(21)23-19(14)24-18(13)15;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h4-5,7-11H,1-3H3;4-7,9-11H,1-3H3;/q2*-1;.
What are the key properties of 8-(4-tert-butyl-2-pyridinyl)-2-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
8-(4-tert-butyl-2-pyridinyl)-2-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane has a molecular weight of 782.47 g/mol, XLogP of 8.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-tert-butyl-2-pyridinyl)-2-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 164712344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).