4-(2,2-dimethylpropyl)-2-(6,8-diphenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane

C55H50GeIrN2O-2 — CID 169039326

IUPAC4-(2,2-dimethylpropyl)-2-(6,8-diphenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
SMILESCC(C)(C)Cc1ccnc(-c2[c-]ccc3c2oc2c(-c4ccccc4)cc(-c4ccccc4)cc23)c1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1-c1ccccc1.[Ir]
InChIInChI=1S/C34H28NO.C21H22GeN.Ir/c1-34(2,3)22-23-17-18-35-31(19-23)28-16-10-15-27-30-21-26(24-11-6-4-7-12-24)20-29(33(30)36-32(27)28)25-13-8-5-9-14-25;1-16-10-11-18(14-20(16)17-8-6-5-7-9-17)21-13-12-19(15-23-21)22(2,3)4;/h4-15,17-21H,22H2,1-3H3;5-10,12-15H,1-4H3;/q2*-1;/i;1D3;
InChIKeyJRMAEVXMZVRZED-ICMJTWPQSA-N
MW1022.86 g/mol
LogP14.44
Rot. Bonds8

About 4-(2,2-dimethylpropyl)-2-(6,8-diphenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane

4-(2,2-dimethylpropyl)-2-(6,8-diphenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane (PubChem CID 169039326) has the molecular formula C55H50GeIrN2O-2 and a molecular weight of 1022.86 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-2-(6,8-diphenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-2-(6,8-diphenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
PubChem CID169039326
Molecular FormulaC55H50GeIrN2O-2
Molecular Weight1022.86 g/mol
Exact Mass1024.30
IUPAC Name4-(2,2-dimethylpropyl)-2-(6,8-diphenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
SMILESCC(C)(C)Cc1ccnc(-c2[c-]ccc3c2oc2c(-c4ccccc4)cc(-c4ccccc4)cc23)c1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1-c1ccccc1.[Ir]
InChIInChI=1S/C34H28NO.C21H22GeN.Ir/c1-34(2,3)22-23-17-18-35-31(19-23)28-16-10-15-27-30-21-26(24-11-6-4-7-12-24)20-29(33(30)36-32(27)28)25-13-8-5-9-14-25;1-16-10-11-18(14-20(16)17-8-6-5-7-9-17)21-13-12-19(15-23-21)22(2,3)4;/h4-15,17-21H,22H2,1-3H3;5-10,12-15H,1-4H3;/q2*-1;/i;1D3;
InChIKeyJRMAEVXMZVRZED-ICMJTWPQSA-N
XLogP14.44
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001022.86
LogP ≤ 514.44
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-(2,2-dimethylpropyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
CID 166577228
4-(2,2-dimethylpropyl)-2-(6,8-diphenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
CID 169039124
4-(2,2-dimethylpropyl)-2-(6,8-diphenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenyl-4-(5-trimethylgermyl-2-pyridinyl)benzene-5-ide-1-carboperoxoic acid
CID 166578336
4-(2,2-dimethylpropyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
CID 166574728
4-tert-butyl-2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine
CID 168843071
iridium;2-[7-(2-methylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
CID 166577814
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[2-(1,1-dideuterio-2,2-dimethylpropyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-5-(trideuteriomethyl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[2-(2,2-dimethylpropyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-5-(trideuteriomethyl)pyridine;bis(4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)pyridine);bis(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;tetrakis(iridium);methane
CID 161224184
4,5-dimethyl-2-(4-methyl-3-phenylbenzene-6-id-1-yl)pyridine;10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-9H-[1]benzofuro[3,2-h]isoquinolin-9-ide;iridium
CID 172522904
4-[cyclohexyl(dideuterio)methyl]-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3,4-diphenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium
CID 171435687
4-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine
CID 166503227
2-(3H-dibenzofuran-3-id-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine;5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;iridium
CID 156621826
4-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)pyridine;2-[3-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;iridium
CID 166502922

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-2-(6,8-diphenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?
The IUPAC name of 4-(2,2-dimethylpropyl)-2-(6,8-diphenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane (CID 169039326) is 4-(2,2-dimethylpropyl)-2-(6,8-diphenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-2-(6,8-diphenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?
The canonical SMILES for 4-(2,2-dimethylpropyl)-2-(6,8-diphenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane is CC(C)(C)Cc1ccnc(-c2[c-]ccc3c2oc2c(-c4ccccc4)cc(-c4ccccc4)cc23)c1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1-c1ccccc1.[Ir].
What is the InChIKey of 4-(2,2-dimethylpropyl)-2-(6,8-diphenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?
The InChIKey is JRMAEVXMZVRZED-ICMJTWPQSA-N. The full InChI is InChI=1S/C34H28NO.C21H22GeN.Ir/c1-34(2,3)22-23-17-18-35-31(19-23)28-16-10-15-27-30-21-26(24-11-6-4-7-12-24)20-29(33(30)36-32(27)28)25-13-8-5-9-14-25;1-16-10-11-18(14-20(16)17-8-6-5-7-9-17)21-13-12-19(15-23-21)22(2,3)4;/h4-15,17-21H,22H2,1-3H3;5-10,12-15H,1-4H3;/q2*-1;/i;1D3;.
What are the key properties of 4-(2,2-dimethylpropyl)-2-(6,8-diphenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?
4-(2,2-dimethylpropyl)-2-(6,8-diphenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane has a molecular weight of 1022.86 g/mol, XLogP of 14.44, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-2-(6,8-diphenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane is sourced from PubChem (CID 169039326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).