4-(2-deuteriopropan-2-yl)-2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane

C40H35FGeIrN2O-2 — CID 164712552

IUPAC4-(2-deuteriopropan-2-yl)-2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane
SMILESC[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1-c1ccccc1.[2H]C(C)(C)c1ccnc(-c2[c-]ccc3c2oc2c(F)cccc23)c1.[Ir]
InChIInChI=1S/C20H15FNO.C20H20GeN.Ir/c1-12(2)13-9-10-22-18(11-13)16-7-3-5-14-15-6-4-8-17(21)20(15)23-19(14)16;1-21(2,3)19-15-22-20(17-12-8-5-9-13-17)14-18(19)16-10-6-4-7-11-16;/h3-6,8-12H,1-2H3;4-12,14-15H,1-3H3;/q2*-1;/i12D;;
InChIKeyUQWAARNMGJLPME-USJWNWRASA-N
MW844.56 g/mol
LogP10.47
Rot. Bonds5

About 4-(2-deuteriopropan-2-yl)-2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane

4-(2-deuteriopropan-2-yl)-2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane (PubChem CID 164712552) has the molecular formula C40H35FGeIrN2O-2 and a molecular weight of 844.56 g/mol. Its IUPAC name is 4-(2-deuteriopropan-2-yl)-2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane.

Molecular Properties

Compound Name4-(2-deuteriopropan-2-yl)-2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane
PubChem CID164712552
Molecular FormulaC40H35FGeIrN2O-2
Molecular Weight844.56 g/mol
Exact Mass846.16
IUPAC Name4-(2-deuteriopropan-2-yl)-2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane
SMILESC[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1-c1ccccc1.[2H]C(C)(C)c1ccnc(-c2[c-]ccc3c2oc2c(F)cccc23)c1.[Ir]
InChIInChI=1S/C20H15FNO.C20H20GeN.Ir/c1-12(2)13-9-10-22-18(11-13)16-7-3-5-14-15-6-4-8-17(21)20(15)23-19(14)16;1-21(2,3)19-15-22-20(17-12-8-5-9-13-17)14-18(19)16-10-6-4-7-11-16;/h3-6,8-12H,1-2H3;4-12,14-15H,1-3H3;/q2*-1;/i12D;;
InChIKeyUQWAARNMGJLPME-USJWNWRASA-N
XLogP10.47
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.56
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-deuteriopropan-2-yl)-2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane
CID 164711632
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
4-(2-deuteriopropan-2-yl)-2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 164712645
4-(2-deuteriopropan-2-yl)-2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 164712960
4-(2-deuteriopropan-2-yl)-2-[6-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166575526
8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-4-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 164712211
iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-phenyl-4-propan-2-ylpyridine
CID 164797671
iridium;3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane
CID 155612009
CID 166588083
CID 166588083
CID 171748043
CID 171748043
CID 164846151
CID 164846151
iridium;trimethyl-[4-phenyl-6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]germane;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 164832485

Frequently Asked Questions

What is the IUPAC name of 4-(2-deuteriopropan-2-yl)-2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane?
The IUPAC name of 4-(2-deuteriopropan-2-yl)-2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane (CID 164712552) is 4-(2-deuteriopropan-2-yl)-2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane.
What is the SMILES notation for 4-(2-deuteriopropan-2-yl)-2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane?
The canonical SMILES for 4-(2-deuteriopropan-2-yl)-2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane is C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1-c1ccccc1.[2H]C(C)(C)c1ccnc(-c2[c-]ccc3c2oc2c(F)cccc23)c1.[Ir].
What is the InChIKey of 4-(2-deuteriopropan-2-yl)-2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane?
The InChIKey is UQWAARNMGJLPME-USJWNWRASA-N. The full InChI is InChI=1S/C20H15FNO.C20H20GeN.Ir/c1-12(2)13-9-10-22-18(11-13)16-7-3-5-14-15-6-4-8-17(21)20(15)23-19(14)16;1-21(2,3)19-15-22-20(17-12-8-5-9-13-17)14-18(19)16-10-6-4-7-11-16;/h3-6,8-12H,1-2H3;4-12,14-15H,1-3H3;/q2*-1;/i12D;;.
What are the key properties of 4-(2-deuteriopropan-2-yl)-2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane?
4-(2-deuteriopropan-2-yl)-2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane has a molecular weight of 844.56 g/mol, XLogP of 10.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-deuteriopropan-2-yl)-2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 164712552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).