iridium;2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane

About iridium;2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane

iridium;2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane (PubChem CID 166574889) has the molecular formula C47H42GeIrN2O-2 and a molecular weight of 915.69 g/mol. Its IUPAC name is iridium;2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane.

Molecular Properties

Compound Name	iridium;2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane
PubChem CID	166574889
Molecular Formula	C47H42GeIrN2O-2
Molecular Weight	915.69 g/mol
Exact Mass	917.21
IUPAC Name	iridium;2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane
SMILES	CC(C)c1ccnc(-c2[c-]ccc3c2oc2ccc(-c4ccccc4)cc23)c1.Cc1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Ge](C)(C)C.[Ir]
InChI	InChI=1S/C26H20NO.C21H22GeN.Ir/c1-17(2)19-13-14-27-24(16-19)22-10-6-9-21-23-15-20(18-7-4-3-5-8-18)11-12-25(23)28-26(21)22;1-16-13-21(23-15-20(16)22(2,3)4)19-12-8-11-18(14-19)17-9-6-5-7-10-17;/h3-9,11-17H,1-2H3;5-11,13-15H,1-4H3;/q2*-1;
InChIKey	AFRXNNBKKAVNRE-UHFFFAOYSA-N
XLogP	12.31
TPSA	38.92 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	6
Heavy Atoms	52
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	915.69
LogP ≤ 5	12.31
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 iridium;2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane?

The IUPAC name of iridium;2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane (CID 166574889) is iridium;2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane.

What is the SMILES notation for iridium;2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane?

The canonical SMILES for iridium;2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane is CC(C)c1ccnc(-c2[c-]ccc3c2oc2ccc(-c4ccccc4)cc23)c1.Cc1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Ge](C)(C)C.[Ir].

What is the InChIKey of iridium;2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane?

The InChIKey is AFRXNNBKKAVNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20NO.C21H22GeN.Ir/c1-17(2)19-13-14-27-24(16-19)22-10-6-9-21-23-15-20(18-7-4-3-5-8-18)11-12-25(23)28-26(21)22;1-16-13-21(23-15-20(16)22(2,3)4)19-12-8-11-18(14-19)17-9-6-5-7-10-17;/h3-9,11-17H,1-2H3;5-11,13-15H,1-4H3;/q2*-1;.

What are the key properties of iridium;2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane?

iridium;2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane has a molecular weight of 915.69 g/mol, XLogP of 12.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane is sourced from PubChem (CID 166574889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).