4-deuterio-6-[4-[2-deuterio-6-(trideuteriomethyl)-4-trimethylgermylphenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium

C40H32FGeIrN3O-2 — CID 170521596

IUPAC4-deuterio-6-[4-[2-deuterio-6-(trideuteriomethyl)-4-trimethylgermylphenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium
SMILESFc1c[c-]c(-c2ccccn2)cc1.[2H]c1cc([Ge](C)(C)C)cc(C([2H])([2H])[2H])c1-c1cc(-c2[c-]ccc3c2oc2c([2H])c(C#N)ccc23)ncc1C([2H])([2H])[2H].[Ir]
InChIInChI=1S/C29H25GeN2O.C11H7FN.Ir/c1-18-13-21(30(3,4)5)10-12-22(18)26-15-27(32-17-19(26)2)25-8-6-7-24-23-11-9-20(16-31)14-28(23)33-29(24)25;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;/h6-7,9-15,17H,1-5H3;1-4,6-8H;/q2*-1;/i1D3,2D3,12D,14D;;
InChIKeySTVCPWPZHCRUDG-WFVPXHDBSA-N
MW862.59 g/mol
LogP9.83
Rot. Bonds6

About 4-deuterio-6-[4-[2-deuterio-6-(trideuteriomethyl)-4-trimethylgermylphenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium

4-deuterio-6-[4-[2-deuterio-6-(trideuteriomethyl)-4-trimethylgermylphenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium (PubChem CID 170521596) has the molecular formula C40H32FGeIrN3O-2 and a molecular weight of 862.59 g/mol. Its IUPAC name is 4-deuterio-6-[4-[2-deuterio-6-(trideuteriomethyl)-4-trimethylgermylphenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium.

Molecular Properties

Compound Name4-deuterio-6-[4-[2-deuterio-6-(trideuteriomethyl)-4-trimethylgermylphenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium
PubChem CID170521596
Molecular FormulaC40H32FGeIrN3O-2
Molecular Weight862.59 g/mol
Exact Mass864.19
IUPAC Name4-deuterio-6-[4-[2-deuterio-6-(trideuteriomethyl)-4-trimethylgermylphenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium
SMILESFc1c[c-]c(-c2ccccn2)cc1.[2H]c1cc([Ge](C)(C)C)cc(C([2H])([2H])[2H])c1-c1cc(-c2[c-]ccc3c2oc2c([2H])c(C#N)ccc23)ncc1C([2H])([2H])[2H].[Ir]
InChIInChI=1S/C29H25GeN2O.C11H7FN.Ir/c1-18-13-21(30(3,4)5)10-12-22(18)26-15-27(32-17-19(26)2)25-8-6-7-24-23-11-9-20(16-31)14-28(23)33-29(24)25;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;/h6-7,9-15,17H,1-5H3;1-4,6-8H;/q2*-1;/i1D3,2D3,12D,14D;;
InChIKeySTVCPWPZHCRUDG-WFVPXHDBSA-N
XLogP9.83
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.59
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-deuterio-6-[4-[2-deuterio-6-(trideuteriomethyl)-4-trimethylgermylphenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium with MolForge

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Related Compounds

2-(4-fluorobenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;iridium;6-pyridin-2-yl-7H-dibenzofuran-7-ide-3-carbonitrile
CID 169300813
6-[4-[2,6-dideuterio-4-(2,2-dimethylpropyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;iridium;2-phenylpyridine
CID 169301575
6-[4-[2-deuterio-4-(4-deuterio-1,1-dimethylgerminan-4-yl)-6-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 176802804
6-[4-[2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;10-fluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 169301460
4-[2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxypyridine;iridium
CID 176754324
10-[4-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-9H-naphtho[1,2-b][1]benzofuran-9-ide-2-carbonitrile;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium
CID 171051575
2-(3H-dibenzofuran-3-id-4-yl)-4-(2,4,6-trimethylphenyl)pyridine;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium
CID 164712144
2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)pyridine;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium
CID 164711756
CID 177102473
CID 177102473
6-[4-[2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;8-fluoro-5,5,6,6-tetramethyl-3-(trideuteriomethyl)-10H-benzo[h]quinolin-10-ide;iridium
CID 169301471
iridium;4-methyl-6-pyridin-2-yl-7H-dibenzofuran-7-ide-2-carbonitrile;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
CID 164798086
6-[4-[2,6-dideuterio-4-(2,2-dimethylpropyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;iridium;2-phenyl-5-(trideuteriomethyl)pyridine
CID 169301666

Frequently Asked Questions

What is the IUPAC name of 4-deuterio-6-[4-[2-deuterio-6-(trideuteriomethyl)-4-trimethylgermylphenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium?
The IUPAC name of 4-deuterio-6-[4-[2-deuterio-6-(trideuteriomethyl)-4-trimethylgermylphenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium (CID 170521596) is 4-deuterio-6-[4-[2-deuterio-6-(trideuteriomethyl)-4-trimethylgermylphenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium.
What is the SMILES notation for 4-deuterio-6-[4-[2-deuterio-6-(trideuteriomethyl)-4-trimethylgermylphenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium?
The canonical SMILES for 4-deuterio-6-[4-[2-deuterio-6-(trideuteriomethyl)-4-trimethylgermylphenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium is Fc1c[c-]c(-c2ccccn2)cc1.[2H]c1cc([Ge](C)(C)C)cc(C([2H])([2H])[2H])c1-c1cc(-c2[c-]ccc3c2oc2c([2H])c(C#N)ccc23)ncc1C([2H])([2H])[2H].[Ir].
What is the InChIKey of 4-deuterio-6-[4-[2-deuterio-6-(trideuteriomethyl)-4-trimethylgermylphenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium?
The InChIKey is STVCPWPZHCRUDG-WFVPXHDBSA-N. The full InChI is InChI=1S/C29H25GeN2O.C11H7FN.Ir/c1-18-13-21(30(3,4)5)10-12-22(18)26-15-27(32-17-19(26)2)25-8-6-7-24-23-11-9-20(16-31)14-28(23)33-29(24)25;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;/h6-7,9-15,17H,1-5H3;1-4,6-8H;/q2*-1;/i1D3,2D3,12D,14D;;.
What are the key properties of 4-deuterio-6-[4-[2-deuterio-6-(trideuteriomethyl)-4-trimethylgermylphenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium?
4-deuterio-6-[4-[2-deuterio-6-(trideuteriomethyl)-4-trimethylgermylphenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium has a molecular weight of 862.59 g/mol, XLogP of 9.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-deuterio-6-[4-[2-deuterio-6-(trideuteriomethyl)-4-trimethylgermylphenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium is sourced from PubChem (CID 170521596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).