7-(4-cyclohexyl-2-pyridinyl)-2-methyl-4-phenyl-8H-[1]benzofuro[2,3-b]pyridin-8-ide;[4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium

C50H53GeIrN3O-2 — CID 162776785

IUPAC7-(4-cyclohexyl-2-pyridinyl)-2-methyl-4-phenyl-8H-[1]benzofuro[2,3-b]pyridin-8-ide;[4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium
SMILESCc1cc(-c2ccccc2)c2c(n1)oc1[c-]c(-c3cc(C4CCCCC4)ccn3)ccc12.Cc1ccc[c-]c1-c1cc(CC2CCCC2)c([Ge](C)(C)C)cn1.[Ir]
InChIInChI=1S/C29H25N2O.C21H28GeN.Ir/c1-19-16-25(21-10-6-3-7-11-21)28-24-13-12-23(18-27(24)32-29(28)31-19)26-17-22(14-15-30-26)20-8-4-2-5-9-20;1-16-9-5-8-12-19(16)21-14-18(13-17-10-6-7-11-17)20(15-23-21)22(2,3)4;/h3,6-7,10-17,20H,2,4-5,8-9H2,1H3;5,8-9,14-15,17H,6-7,10-11,13H2,1-4H3;/q2*-1;
InChIKeyRNTWSJQUSFIKOF-UHFFFAOYSA-N
MW976.82 g/mol
LogP13.00
Rot. Bonds7

About 7-(4-cyclohexyl-2-pyridinyl)-2-methyl-4-phenyl-8H-[1]benzofuro[2,3-b]pyridin-8-ide;[4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium

7-(4-cyclohexyl-2-pyridinyl)-2-methyl-4-phenyl-8H-[1]benzofuro[2,3-b]pyridin-8-ide;[4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium (PubChem CID 162776785) has the molecular formula C50H53GeIrN3O-2 and a molecular weight of 976.82 g/mol. Its IUPAC name is 7-(4-cyclohexyl-2-pyridinyl)-2-methyl-4-phenyl-8H-[1]benzofuro[2,3-b]pyridin-8-ide;[4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium.

Molecular Properties

Compound Name7-(4-cyclohexyl-2-pyridinyl)-2-methyl-4-phenyl-8H-[1]benzofuro[2,3-b]pyridin-8-ide;[4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium
PubChem CID162776785
Molecular FormulaC50H53GeIrN3O-2
Molecular Weight976.82 g/mol
Exact Mass978.30
IUPAC Name7-(4-cyclohexyl-2-pyridinyl)-2-methyl-4-phenyl-8H-[1]benzofuro[2,3-b]pyridin-8-ide;[4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium
SMILESCc1cc(-c2ccccc2)c2c(n1)oc1[c-]c(-c3cc(C4CCCCC4)ccn3)ccc12.Cc1ccc[c-]c1-c1cc(CC2CCCC2)c([Ge](C)(C)C)cn1.[Ir]
InChIInChI=1S/C29H25N2O.C21H28GeN.Ir/c1-19-16-25(21-10-6-3-7-11-21)28-24-13-12-23(18-27(24)32-29(28)31-19)26-17-22(14-15-30-26)20-8-4-2-5-9-20;1-16-9-5-8-12-19(16)21-14-18(13-17-10-6-7-11-17)20(15-23-21)22(2,3)4;/h3,6-7,10-17,20H,2,4-5,8-9H2,1H3;5,8-9,14-15,17H,6-7,10-11,13H2,1-4H3;/q2*-1;
InChIKeyRNTWSJQUSFIKOF-UHFFFAOYSA-N
XLogP13.00
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500976.82
LogP ≤ 513.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-(4-cyclohexyl-2-pyridinyl)-2-methyl-4-phenyl-8H-[1]benzofuro[2,3-b]pyridin-8-ide;[4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium with MolForge

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Related Compounds

[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;4-methyl-2-phenyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 162777009
4-cyclohexyl-2-(6-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578580
4-cyclohexyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 155612157
[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;4-(2,2-dimethylpropyl)-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium
CID 155612324
3-(4-tert-butylphenyl)-6-methyl-2-(1-phenyl-4H-dibenzofuran-4-id-3-yl)imidazo[4,5-c]pyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156670851
[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane
CID 155611079
8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-4-phenyl-[1]benzofuro[2,3-b]pyridine
CID 167356385
4-(2-deuteriopropan-2-yl)-2-(9-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166578469
4-(cyclopentylmethyl)-2-(6-phenyl-1H-dibenzofuran-1-id-2-yl)-5-propan-2-ylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 155610922
4-(cyclohexylmethyl)-2-(7-methyl-1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclopentylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;iridium
CID 169039237
8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156667594
5-(cyclopentylmethyl)-2-[7-(2,6-dimethylphenyl)-1H-dibenzofuran-1-id-2-yl]-4-methylpyridine;[4-(cyclopentylmethyl)-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]-trimethylgermane;iridium
CID 155611510

Frequently Asked Questions

What is the IUPAC name of 7-(4-cyclohexyl-2-pyridinyl)-2-methyl-4-phenyl-8H-[1]benzofuro[2,3-b]pyridin-8-ide;[4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium?
The IUPAC name of 7-(4-cyclohexyl-2-pyridinyl)-2-methyl-4-phenyl-8H-[1]benzofuro[2,3-b]pyridin-8-ide;[4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium (CID 162776785) is 7-(4-cyclohexyl-2-pyridinyl)-2-methyl-4-phenyl-8H-[1]benzofuro[2,3-b]pyridin-8-ide;[4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium.
What is the SMILES notation for 7-(4-cyclohexyl-2-pyridinyl)-2-methyl-4-phenyl-8H-[1]benzofuro[2,3-b]pyridin-8-ide;[4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium?
The canonical SMILES for 7-(4-cyclohexyl-2-pyridinyl)-2-methyl-4-phenyl-8H-[1]benzofuro[2,3-b]pyridin-8-ide;[4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium is Cc1cc(-c2ccccc2)c2c(n1)oc1[c-]c(-c3cc(C4CCCCC4)ccn3)ccc12.Cc1ccc[c-]c1-c1cc(CC2CCCC2)c([Ge](C)(C)C)cn1.[Ir].
What is the InChIKey of 7-(4-cyclohexyl-2-pyridinyl)-2-methyl-4-phenyl-8H-[1]benzofuro[2,3-b]pyridin-8-ide;[4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium?
The InChIKey is RNTWSJQUSFIKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N2O.C21H28GeN.Ir/c1-19-16-25(21-10-6-3-7-11-21)28-24-13-12-23(18-27(24)32-29(28)31-19)26-17-22(14-15-30-26)20-8-4-2-5-9-20;1-16-9-5-8-12-19(16)21-14-18(13-17-10-6-7-11-17)20(15-23-21)22(2,3)4;/h3,6-7,10-17,20H,2,4-5,8-9H2,1H3;5,8-9,14-15,17H,6-7,10-11,13H2,1-4H3;/q2*-1;.
What are the key properties of 7-(4-cyclohexyl-2-pyridinyl)-2-methyl-4-phenyl-8H-[1]benzofuro[2,3-b]pyridin-8-ide;[4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium?
7-(4-cyclohexyl-2-pyridinyl)-2-methyl-4-phenyl-8H-[1]benzofuro[2,3-b]pyridin-8-ide;[4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium has a molecular weight of 976.82 g/mol, XLogP of 13.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyclohexyl-2-pyridinyl)-2-methyl-4-phenyl-8H-[1]benzofuro[2,3-b]pyridin-8-ide;[4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium is sourced from PubChem (CID 162776785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).