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

About 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

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 (PubChem CID 164712960) has the molecular formula C39H41FGeIrN2O-2 and a molecular weight of 838.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name	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
PubChem CID	164712960
Molecular Formula	C39H41FGeIrN2O-2
Molecular Weight	838.60 g/mol
Exact Mass	840.21
IUPAC Name	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
SMILES	CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[2H]C(C)(C)c1ccnc(-c2[c-]ccc3c2oc2cccc(F)c23)c1.[Ir]
InChI	InChI=1S/C20H15FNO.C19H26GeN.Ir/c1-12(2)13-9-10-22-17(11-13)14-5-3-6-15-19-16(21)7-4-8-18(19)23-20(14)15;1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;/h3-4,6-12H,1-2H3;7-10,12,14H,13H2,1-6H3;/q2*-1;/i12D;;
InChIKey	QWHJVKPWKYHDDL-USJWNWRASA-N
XLogP	10.39
TPSA	38.92 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	45
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	838.60
LogP ≤ 5	10.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[2H]C(C)(C)c1ccnc(-c2[c-]ccc3c2oc2cccc(F)c23)c1.[Ir].

What is the InChIKey of 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?

The InChIKey is QWHJVKPWKYHDDL-USJWNWRASA-N. The full InChI is InChI=1S/C20H15FNO.C19H26GeN.Ir/c1-12(2)13-9-10-22-17(11-13)14-5-3-6-15-19-16(21)7-4-8-18(19)23-20(14)15;1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;/h3-4,6-12H,1-2H3;7-10,12,14H,13H2,1-6H3;/q2*-1;/i12D;;.

What are the key properties of 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?

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 has a molecular weight of 838.60 g/mol, XLogP of 10.39, 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-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium is sourced from PubChem (CID 164712960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).