4-[1,1,1,2,2,4,4,5,5,5-decadeuterio-3-(trideuteriomethyl)pentan-3-yl]-2-[7-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-3H-dibenzofuran-3-id-4-yl]pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium

C46H56GeIrN2O-2 — CID 155610788

IUPAC4-[1,1,1,2,2,4,4,5,5,5-decadeuterio-3-(trideuteriomethyl)pentan-3-yl]-2-[7-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-3H-dibenzofuran-3-id-4-yl]pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
SMILES[2H]C([2H])([2H])C([2H])([2H])C(c1ccnc(-c2[c-]ccc3c2oc2cc(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])ccc23)c1)(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])[2H].[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)(C)C.[Ir]
InChIInChI=1S/C27H30NO.C19H26GeN.Ir/c1-7-27(6,8-2)19-14-15-28-23(16-19)22-11-9-10-21-20-13-12-18(26(3,4)5)17-24(20)29-25(21)22;1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;/h9-10,12-17H,7-8H2,1-6H3;7-10,12,14H,13H2,1-6H3;/q2*-1;/i1D3,2D3,3D3,4D3,5D3,6D3,7D2,8D2;13D2;
InChIKeyKIEXUMNDUXVBJU-KXZBHGPLSA-N
MW941.94 g/mol
LogP12.50
Rot. Bonds10

About 4-[1,1,1,2,2,4,4,5,5,5-decadeuterio-3-(trideuteriomethyl)pentan-3-yl]-2-[7-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-3H-dibenzofuran-3-id-4-yl]pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium

4-[1,1,1,2,2,4,4,5,5,5-decadeuterio-3-(trideuteriomethyl)pentan-3-yl]-2-[7-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-3H-dibenzofuran-3-id-4-yl]pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium (PubChem CID 155610788) has the molecular formula C46H56GeIrN2O-2 and a molecular weight of 941.94 g/mol. Its IUPAC name is 4-[1,1,1,2,2,4,4,5,5,5-decadeuterio-3-(trideuteriomethyl)pentan-3-yl]-2-[7-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-3H-dibenzofuran-3-id-4-yl]pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium.

Molecular Properties

Compound Name4-[1,1,1,2,2,4,4,5,5,5-decadeuterio-3-(trideuteriomethyl)pentan-3-yl]-2-[7-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-3H-dibenzofuran-3-id-4-yl]pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
PubChem CID155610788
Molecular FormulaC46H56GeIrN2O-2
Molecular Weight941.94 g/mol
Exact Mass943.48
IUPAC Name4-[1,1,1,2,2,4,4,5,5,5-decadeuterio-3-(trideuteriomethyl)pentan-3-yl]-2-[7-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-3H-dibenzofuran-3-id-4-yl]pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
SMILES[2H]C([2H])([2H])C([2H])([2H])C(c1ccnc(-c2[c-]ccc3c2oc2cc(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])ccc23)c1)(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])[2H].[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)(C)C.[Ir]
InChIInChI=1S/C27H30NO.C19H26GeN.Ir/c1-7-27(6,8-2)19-14-15-28-23(16-19)22-11-9-10-21-20-13-12-18(26(3,4)5)17-24(20)29-25(21)22;1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;/h9-10,12-17H,7-8H2,1-6H3;7-10,12,14H,13H2,1-6H3;/q2*-1;/i1D3,2D3,3D3,4D3,5D3,6D3,7D2,8D2;13D2;
InChIKeyKIEXUMNDUXVBJU-KXZBHGPLSA-N
XLogP12.50
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.94
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[1,1,1,2,2,4,4,5,5,5-decadeuterio-3-(trideuteriomethyl)pentan-3-yl]-2-[7-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-3H-dibenzofuran-3-id-4-yl]pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium with MolForge

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Related Compounds

8-[4-[1,1,1,2,2,4,4,5,5,5-decadeuterio-3-(trideuteriomethyl)pentan-3-yl]-2-pyridinyl]-2-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 155611270
4-[cyclopentyl(dideuterio)methyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 155611088
2-[7-(2-deuteriopropan-2-yl)-3H-dibenzofuran-3-id-4-yl]-4-(1,1-dideuterio-2,2-dimethylpropyl)pyridine;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 155611673
1-(4-tert-butyl-2,6-diphenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156660774
4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;4,5-dimethyl-2-phenylpyridine;iridium
CID 176851564
2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-5-(trideuteriomethyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 171730805
2-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 155612395
4-tert-butyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166576500
CID 153490160
CID 153490160
bis(4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine);iridium(3+);2-phenylpyridine
CID 167425260
2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethyl-4-phenylphenyl)benzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156660056
CID 176623932
CID 176623932

Frequently Asked Questions

What is the IUPAC name of 4-[1,1,1,2,2,4,4,5,5,5-decadeuterio-3-(trideuteriomethyl)pentan-3-yl]-2-[7-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-3H-dibenzofuran-3-id-4-yl]pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?
The IUPAC name of 4-[1,1,1,2,2,4,4,5,5,5-decadeuterio-3-(trideuteriomethyl)pentan-3-yl]-2-[7-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-3H-dibenzofuran-3-id-4-yl]pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium (CID 155610788) is 4-[1,1,1,2,2,4,4,5,5,5-decadeuterio-3-(trideuteriomethyl)pentan-3-yl]-2-[7-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-3H-dibenzofuran-3-id-4-yl]pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium.
What is the SMILES notation for 4-[1,1,1,2,2,4,4,5,5,5-decadeuterio-3-(trideuteriomethyl)pentan-3-yl]-2-[7-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-3H-dibenzofuran-3-id-4-yl]pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?
The canonical SMILES for 4-[1,1,1,2,2,4,4,5,5,5-decadeuterio-3-(trideuteriomethyl)pentan-3-yl]-2-[7-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-3H-dibenzofuran-3-id-4-yl]pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium is [2H]C([2H])([2H])C([2H])([2H])C(c1ccnc(-c2[c-]ccc3c2oc2cc(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])ccc23)c1)(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])[2H].[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)(C)C.[Ir].
What is the InChIKey of 4-[1,1,1,2,2,4,4,5,5,5-decadeuterio-3-(trideuteriomethyl)pentan-3-yl]-2-[7-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-3H-dibenzofuran-3-id-4-yl]pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?
The InChIKey is KIEXUMNDUXVBJU-KXZBHGPLSA-N. The full InChI is InChI=1S/C27H30NO.C19H26GeN.Ir/c1-7-27(6,8-2)19-14-15-28-23(16-19)22-11-9-10-21-20-13-12-18(26(3,4)5)17-24(20)29-25(21)22;1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;/h9-10,12-17H,7-8H2,1-6H3;7-10,12,14H,13H2,1-6H3;/q2*-1;/i1D3,2D3,3D3,4D3,5D3,6D3,7D2,8D2;13D2;.
What are the key properties of 4-[1,1,1,2,2,4,4,5,5,5-decadeuterio-3-(trideuteriomethyl)pentan-3-yl]-2-[7-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-3H-dibenzofuran-3-id-4-yl]pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?
4-[1,1,1,2,2,4,4,5,5,5-decadeuterio-3-(trideuteriomethyl)pentan-3-yl]-2-[7-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-3H-dibenzofuran-3-id-4-yl]pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium has a molecular weight of 941.94 g/mol, XLogP of 12.50, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1,1,2,2,4,4,5,5,5-decadeuterio-3-(trideuteriomethyl)pentan-3-yl]-2-[7-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-3H-dibenzofuran-3-id-4-yl]pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium is sourced from PubChem (CID 155610788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).