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

About 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

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 (PubChem CID 164711756) has the molecular formula C36H35FGeIrN2O-2 and a molecular weight of 797.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name	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
PubChem CID	164711756
Molecular Formula	C36H35FGeIrN2O-2
Molecular Weight	797.53 g/mol
Exact Mass	799.17
IUPAC Name	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
SMILES	C[Ge](C)(C)c1ccc(-c2[c-]cc(F)cc2)nc1.[2H]C([2H])(c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1)C(C)(C)C.[Ir]
InChI	InChI=1S/C22H20NO.C14H15FGeN.Ir/c1-22(2,3)14-15-11-12-23-19(13-15)18-9-6-8-17-16-7-4-5-10-20(16)24-21(17)18;1-16(2,3)13-8-9-14(17-10-13)11-4-6-12(15)7-5-11;/h4-8,10-13H,14H2,1-3H3;4,6-10H,1-3H3;/q2*-1;/i14D2;;
InChIKey	QMEJOIGQKSJSJV-YYXRFDLRSA-N
XLogP	9.27
TPSA	38.92 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	42
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	797.53
LogP ≤ 5	9.27
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 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C[Ge](C)(C)c1ccc(-c2[c-]cc(F)cc2)nc1.[2H]C([2H])(c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1)C(C)(C)C.[Ir].

What is the InChIKey of 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?

The InChIKey is QMEJOIGQKSJSJV-YYXRFDLRSA-N. The full InChI is InChI=1S/C22H20NO.C14H15FGeN.Ir/c1-22(2,3)14-15-11-12-23-19(13-15)18-9-6-8-17-16-7-4-5-10-20(16)24-21(17)18;1-16(2,3)13-8-9-14(17-10-13)11-4-6-12(15)7-5-11;/h4-8,10-13H,14H2,1-3H3;4,6-10H,1-3H3;/q2*-1;/i14D2;;.

What are the key properties of 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?

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 has a molecular weight of 797.53 g/mol, XLogP of 9.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 164711756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).