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

C49H55GeIrN3O-2 — CID 155611097

IUPAC2-[7-(2,6-dimethylphenyl)-9-methyl-3H-dibenzofuran-3-id-4-yl]-4-(2-methylpropyl)pyridine;[6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium
SMILESCc1c[c-]c(-c2cc(CC(C)C)c([Ge](C)(C)C)cn2)c(C)n1.Cc1cccc(C)c1-c1cc(C)c2c(c1)oc1c(-c3cc(CC(C)C)ccn3)[c-]ccc12.[Ir]
InChIInChI=1S/C30H28NO.C19H27GeN2.Ir/c1-18(2)14-22-12-13-31-26(16-22)24-10-7-11-25-29-21(5)15-23(17-27(29)32-30(24)25)28-19(3)8-6-9-20(28)4;1-13(2)10-16-11-19(21-12-18(16)20(5,6)7)17-9-8-14(3)22-15(17)4;/h6-9,11-13,15-18H,14H2,1-5H3;8,11-13H,10H2,1-7H3;/q2*-1;
InChIKeyJCLSYFKKBSKUFW-UHFFFAOYSA-N
MW966.83 g/mol
LogP12.54
Rot. Bonds8

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

2-[7-(2,6-dimethylphenyl)-9-methyl-3H-dibenzofuran-3-id-4-yl]-4-(2-methylpropyl)pyridine;[6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium (PubChem CID 155611097) has the molecular formula C49H55GeIrN3O-2 and a molecular weight of 966.83 g/mol. Its IUPAC name is 2-[7-(2,6-dimethylphenyl)-9-methyl-3H-dibenzofuran-3-id-4-yl]-4-(2-methylpropyl)pyridine;[6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium.

Molecular Properties

Compound Name2-[7-(2,6-dimethylphenyl)-9-methyl-3H-dibenzofuran-3-id-4-yl]-4-(2-methylpropyl)pyridine;[6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium
PubChem CID155611097
Molecular FormulaC49H55GeIrN3O-2
Molecular Weight966.83 g/mol
Exact Mass968.32
IUPAC Name2-[7-(2,6-dimethylphenyl)-9-methyl-3H-dibenzofuran-3-id-4-yl]-4-(2-methylpropyl)pyridine;[6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium
SMILESCc1c[c-]c(-c2cc(CC(C)C)c([Ge](C)(C)C)cn2)c(C)n1.Cc1cccc(C)c1-c1cc(C)c2c(c1)oc1c(-c3cc(CC(C)C)ccn3)[c-]ccc12.[Ir]
InChIInChI=1S/C30H28NO.C19H27GeN2.Ir/c1-18(2)14-22-12-13-31-26(16-22)24-10-7-11-25-29-21(5)15-23(17-27(29)32-30(24)25)28-19(3)8-6-9-20(28)4;1-13(2)10-16-11-19(21-12-18(16)20(5,6)7)17-9-8-14(3)22-15(17)4;/h6-9,11-13,15-18H,14H2,1-5H3;8,11-13H,10H2,1-7H3;/q2*-1;
InChIKeyJCLSYFKKBSKUFW-UHFFFAOYSA-N
XLogP12.54
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500966.83
LogP ≤ 512.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dimethylphenyl)-4-methyl-8-[4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 155612600
2-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 155612022
4-(cyclopentylmethyl)-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 155611856
2-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 155612395
1,3-dimethyl-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 155610536
iridium;4-(2-methylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166574508
8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 167331729
4-(2-deuteriopropan-2-yl)-2-(1-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 164712043
4-(1-cyclohexylethyl)-2-[7-(2,6-dimethylphenyl)-1-methoxy-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(4-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium
CID 162776683
8-[4-(cyclopentylmethyl)-2-pyridinyl]-5-methyl-2-(2,4,6-trimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 155610715
2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166578231
iridium;4-(2-methylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 166577515

Frequently Asked Questions

What is the IUPAC name of 2-[7-(2,6-dimethylphenyl)-9-methyl-3H-dibenzofuran-3-id-4-yl]-4-(2-methylpropyl)pyridine;[6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium?
The IUPAC name of 2-[7-(2,6-dimethylphenyl)-9-methyl-3H-dibenzofuran-3-id-4-yl]-4-(2-methylpropyl)pyridine;[6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium (CID 155611097) is 2-[7-(2,6-dimethylphenyl)-9-methyl-3H-dibenzofuran-3-id-4-yl]-4-(2-methylpropyl)pyridine;[6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium.
What is the SMILES notation for 2-[7-(2,6-dimethylphenyl)-9-methyl-3H-dibenzofuran-3-id-4-yl]-4-(2-methylpropyl)pyridine;[6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium?
The canonical SMILES for 2-[7-(2,6-dimethylphenyl)-9-methyl-3H-dibenzofuran-3-id-4-yl]-4-(2-methylpropyl)pyridine;[6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium is Cc1c[c-]c(-c2cc(CC(C)C)c([Ge](C)(C)C)cn2)c(C)n1.Cc1cccc(C)c1-c1cc(C)c2c(c1)oc1c(-c3cc(CC(C)C)ccn3)[c-]ccc12.[Ir].
What is the InChIKey of 2-[7-(2,6-dimethylphenyl)-9-methyl-3H-dibenzofuran-3-id-4-yl]-4-(2-methylpropyl)pyridine;[6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium?
The InChIKey is JCLSYFKKBSKUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28NO.C19H27GeN2.Ir/c1-18(2)14-22-12-13-31-26(16-22)24-10-7-11-25-29-21(5)15-23(17-27(29)32-30(24)25)28-19(3)8-6-9-20(28)4;1-13(2)10-16-11-19(21-12-18(16)20(5,6)7)17-9-8-14(3)22-15(17)4;/h6-9,11-13,15-18H,14H2,1-5H3;8,11-13H,10H2,1-7H3;/q2*-1;.
What are the key properties of 2-[7-(2,6-dimethylphenyl)-9-methyl-3H-dibenzofuran-3-id-4-yl]-4-(2-methylpropyl)pyridine;[6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium?
2-[7-(2,6-dimethylphenyl)-9-methyl-3H-dibenzofuran-3-id-4-yl]-4-(2-methylpropyl)pyridine;[6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium has a molecular weight of 966.83 g/mol, XLogP of 12.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2,6-dimethylphenyl)-9-methyl-3H-dibenzofuran-3-id-4-yl]-4-(2-methylpropyl)pyridine;[6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium is sourced from PubChem (CID 155611097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).