2,6-dimethyl-4-[3-(9-methyl-6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)phenyl]pyridine;iridium;[6-(3-methoxybenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane

C46H41GeIrN3O2-2 — CID 169038527

IUPAC2,6-dimethyl-4-[3-(9-methyl-6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)phenyl]pyridine;iridium;[6-(3-methoxybenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane
SMILESCOc1cc[c-]c(-c2ccc([Ge](C)(C)C)cn2)c1.Cc1cc(-c2cccc(-c3cccc4c3oc3c(-c5ccccn5)[c-]cc(C)c34)c2)cc(C)n1.[Ir]
InChIInChI=1S/C31H23N2O.C15H18GeNO.Ir/c1-19-13-14-26(28-12-4-5-15-32-28)31-29(19)27-11-7-10-25(30(27)34-31)23-9-6-8-22(18-23)24-16-20(2)33-21(3)17-24;1-16(2,3)13-8-9-15(17-11-13)12-6-5-7-14(10-12)18-4;/h4-13,15-18H,1-3H3;5,7-11H,1-4H3;/q2*-1;
InChIKeyYECRRBRROKXAPZ-UHFFFAOYSA-N
MW932.68 g/mol
LogP11.20
Rot. Bonds6

About 2,6-dimethyl-4-[3-(9-methyl-6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)phenyl]pyridine;iridium;[6-(3-methoxybenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane

2,6-dimethyl-4-[3-(9-methyl-6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)phenyl]pyridine;iridium;[6-(3-methoxybenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane (PubChem CID 169038527) has the molecular formula C46H41GeIrN3O2-2 and a molecular weight of 932.68 g/mol. Its IUPAC name is 2,6-dimethyl-4-[3-(9-methyl-6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)phenyl]pyridine;iridium;[6-(3-methoxybenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane.

Molecular Properties

Compound Name2,6-dimethyl-4-[3-(9-methyl-6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)phenyl]pyridine;iridium;[6-(3-methoxybenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane
PubChem CID169038527
Molecular FormulaC46H41GeIrN3O2-2
Molecular Weight932.68 g/mol
Exact Mass934.21
IUPAC Name2,6-dimethyl-4-[3-(9-methyl-6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)phenyl]pyridine;iridium;[6-(3-methoxybenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane
SMILESCOc1cc[c-]c(-c2ccc([Ge](C)(C)C)cn2)c1.Cc1cc(-c2cccc(-c3cccc4c3oc3c(-c5ccccn5)[c-]cc(C)c34)c2)cc(C)n1.[Ir]
InChIInChI=1S/C31H23N2O.C15H18GeNO.Ir/c1-19-13-14-26(28-12-4-5-15-32-28)31-29(19)27-11-7-10-25(30(27)34-31)23-9-6-8-22(18-23)24-16-20(2)33-21(3)17-24;1-16(2,3)13-8-9-15(17-11-13)12-6-5-7-14(10-12)18-4;/h4-13,15-18H,1-3H3;5,7-11H,1-4H3;/q2*-1;
InChIKeyYECRRBRROKXAPZ-UHFFFAOYSA-N
XLogP11.20
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500932.68
LogP ≤ 511.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,6-dimethyl-4-[3-(9-methyl-6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)phenyl]pyridine;iridium;[6-(3-methoxybenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane with MolForge

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Related Compounds

3-[6-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-1-methyl-3H-dibenzofuran-3-id-4-yl]isoquinoline;iridium;[6-(3-methoxybenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane
CID 169039248
iridium;4-methyl-5-phenyl-2-(6-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166577176
iridium;2-(3-methoxybenzene-6-id-1-yl)pyridine
CID 59865387
iridium;4-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166574116
CID 176873979
CID 176873979
bis(iridium);2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine
CID 163719689
4,5-dimethyl-2-(4-methylbenzene-6-id-1-yl)pyridine;iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine
CID 164797511
iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-phenyl-5-propan-2-ylpyridine
CID 164797977
5-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine
CID 167357599
iridium;4-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]germane
CID 166577258
iridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine
CID 156686689
iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-phenyl-4-propan-2-ylpyridine
CID 164797671

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[3-(9-methyl-6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)phenyl]pyridine;iridium;[6-(3-methoxybenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane?
The IUPAC name of 2,6-dimethyl-4-[3-(9-methyl-6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)phenyl]pyridine;iridium;[6-(3-methoxybenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane (CID 169038527) is 2,6-dimethyl-4-[3-(9-methyl-6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)phenyl]pyridine;iridium;[6-(3-methoxybenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane.
What is the SMILES notation for 2,6-dimethyl-4-[3-(9-methyl-6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)phenyl]pyridine;iridium;[6-(3-methoxybenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane?
The canonical SMILES for 2,6-dimethyl-4-[3-(9-methyl-6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)phenyl]pyridine;iridium;[6-(3-methoxybenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane is COc1cc[c-]c(-c2ccc([Ge](C)(C)C)cn2)c1.Cc1cc(-c2cccc(-c3cccc4c3oc3c(-c5ccccn5)[c-]cc(C)c34)c2)cc(C)n1.[Ir].
What is the InChIKey of 2,6-dimethyl-4-[3-(9-methyl-6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)phenyl]pyridine;iridium;[6-(3-methoxybenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane?
The InChIKey is YECRRBRROKXAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N2O.C15H18GeNO.Ir/c1-19-13-14-26(28-12-4-5-15-32-28)31-29(19)27-11-7-10-25(30(27)34-31)23-9-6-8-22(18-23)24-16-20(2)33-21(3)17-24;1-16(2,3)13-8-9-15(17-11-13)12-6-5-7-14(10-12)18-4;/h4-13,15-18H,1-3H3;5,7-11H,1-4H3;/q2*-1;.
What are the key properties of 2,6-dimethyl-4-[3-(9-methyl-6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)phenyl]pyridine;iridium;[6-(3-methoxybenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane?
2,6-dimethyl-4-[3-(9-methyl-6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)phenyl]pyridine;iridium;[6-(3-methoxybenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane has a molecular weight of 932.68 g/mol, XLogP of 11.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[3-(9-methyl-6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)phenyl]pyridine;iridium;[6-(3-methoxybenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane is sourced from PubChem (CID 169038527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).