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

C56H58GeIrN2O-2 — CID 155611510

IUPAC5-(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
SMILESC[Ge](C)(C)c1cnc(-c2[c-]cc3ccccc3c2)cc1CC1CCCC1.Cc1cc(-c2[c-]c3c(cc2)oc2cc(-c4c(C)cccc4C)ccc23)ncc1CC1CCCC1.[Ir]
InChIInChI=1S/C32H30NO.C24H28GeN.Ir/c1-20-7-6-8-21(2)32(20)25-11-13-27-28-17-24(12-14-30(28)34-31(27)18-25)29-15-22(3)26(19-33-29)16-23-9-4-5-10-23;1-25(2,3)23-17-26-24(16-22(23)14-18-8-4-5-9-18)21-13-12-19-10-6-7-11-20(19)15-21;/h6-8,11-15,18-19,23H,4-5,9-10,16H2,1-3H3;6-7,10-12,15-18H,4-5,8-9,14H2,1-3H3;/q2*-1;
InChIKeySDMGGPGJCAFIGD-UHFFFAOYSA-N
MW1039.92 g/mol
LogP14.75
Rot. Bonds8

About 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

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 (PubChem CID 155611510) has the molecular formula C56H58GeIrN2O-2 and a molecular weight of 1039.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID155611510
Molecular FormulaC56H58GeIrN2O-2
Molecular Weight1039.92 g/mol
Exact Mass1041.34
IUPAC Name5-(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
SMILESC[Ge](C)(C)c1cnc(-c2[c-]cc3ccccc3c2)cc1CC1CCCC1.Cc1cc(-c2[c-]c3c(cc2)oc2cc(-c4c(C)cccc4C)ccc23)ncc1CC1CCCC1.[Ir]
InChIInChI=1S/C32H30NO.C24H28GeN.Ir/c1-20-7-6-8-21(2)32(20)25-11-13-27-28-17-24(12-14-30(28)34-31(27)18-25)29-15-22(3)26(19-33-29)16-23-9-4-5-10-23;1-25(2,3)23-17-26-24(16-22(23)14-18-8-4-5-9-18)21-13-12-19-10-6-7-11-20(19)15-21;/h6-8,11-15,18-19,23H,4-5,9-10,16H2,1-3H3;6-7,10-12,15-18H,4-5,8-9,14H2,1-3H3;/q2*-1;
InChIKeySDMGGPGJCAFIGD-UHFFFAOYSA-N
XLogP14.75
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001039.92
LogP ≤ 514.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[7-(2,6-dimethylphenyl)-3H-dibenzofuran-3-id-2-yl]-4-propan-2-ylpyridine;iridium
CID 169039046
[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
CID 163988650
CID 163988650
5-(cyclopentylmethyl)-2-[7-(4-fluoro-2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-2-yl]-4-methylpyridine;4-(cyclopentylmethyl)-5-propan-2-yl-2-[7-(2,3,6-trimethylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;tris([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);3-[8-[4-(2,2-dimethylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-id-2-yl]-2,4,6-trimethylpyridine;tris(iridium)
CID 163684259
iridium;2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane
CID 166576951
[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane
CID 155611079
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
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
4-[cyclopentyl(dideuterio)methyl]-2-[7-(2,6-dimethylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;[6-[4-(1-deuteriocyclohexyl)benzene-6-id-1-yl]-4-(1,1-dideuterio-2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium
CID 166576817
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
4-[5-[cyclopentyl(dideuterio)methyl]-4-(trideuteriomethyl)-2-pyridinyl]-7-phenyl-3H-dibenzofuran-3-ide-1-carbonitrile;4-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-trimethylgermyl-2-pyridinyl]benzene-5-ide-1-carbonitrile;iridium
CID 155612757

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[Ge](C)(C)c1cnc(-c2[c-]cc3ccccc3c2)cc1CC1CCCC1.Cc1cc(-c2[c-]c3c(cc2)oc2cc(-c4c(C)cccc4C)ccc23)ncc1CC1CCCC1.[Ir].
What is the InChIKey of 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?
The InChIKey is SDMGGPGJCAFIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30NO.C24H28GeN.Ir/c1-20-7-6-8-21(2)32(20)25-11-13-27-28-17-24(12-14-30(28)34-31(27)18-25)29-15-22(3)26(19-33-29)16-23-9-4-5-10-23;1-25(2,3)23-17-26-24(16-22(23)14-18-8-4-5-9-18)21-13-12-19-10-6-7-11-20(19)15-21;/h6-8,11-15,18-19,23H,4-5,9-10,16H2,1-3H3;6-7,10-12,15-18H,4-5,8-9,14H2,1-3H3;/q2*-1;.
What are the key properties of 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?
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 has a molecular weight of 1039.92 g/mol, XLogP of 14.75, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155611510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).