8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-2,4-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane

C44H51IrN3OSi-2 — CID 155610713

IUPAC8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-2,4-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
SMILESCC(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc(C)c2c(n1)oc1c(-c3cc(CC4CCCC4)c(C(C)C)cn3)[c-]ccc12.[Ir]
InChIInChI=1S/C27H29N2O.C17H22NSi.Ir/c1-16(2)23-15-28-24(14-20(23)13-19-8-5-6-9-19)21-10-7-11-22-25-17(3)12-18(4)29-27(25)30-26(21)22;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;/h7,11-12,14-16,19H,5-6,8-9,13H2,1-4H3;6-9,11-13H,1-5H3;/q2*-1;
InChIKeyWSPWAZSHTDMZEW-UHFFFAOYSA-N
MW858.21 g/mol
LogP11.53
Rot. Bonds7

About 8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-2,4-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane

8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-2,4-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane (PubChem CID 155610713) has the molecular formula C44H51IrN3OSi-2 and a molecular weight of 858.21 g/mol. Its IUPAC name is 8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-2,4-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane.

Molecular Properties

Compound Name8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-2,4-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
PubChem CID155610713
Molecular FormulaC44H51IrN3OSi-2
Molecular Weight858.21 g/mol
Exact Mass858.34
IUPAC Name8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-2,4-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
SMILESCC(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc(C)c2c(n1)oc1c(-c3cc(CC4CCCC4)c(C(C)C)cn3)[c-]ccc12.[Ir]
InChIInChI=1S/C27H29N2O.C17H22NSi.Ir/c1-16(2)23-15-28-24(14-20(23)13-19-8-5-6-9-19)21-10-7-11-22-25-17(3)12-18(4)29-27(25)30-26(21)22;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;/h7,11-12,14-16,19H,5-6,8-9,13H2,1-4H3;6-9,11-13H,1-5H3;/q2*-1;
InChIKeyWSPWAZSHTDMZEW-UHFFFAOYSA-N
XLogP11.53
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.21
LogP ≤ 511.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-2,4-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane with MolForge

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Launch Full Analysis

Related Compounds

8-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 155611207
[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
8-(4-tert-butyl-2-pyridinyl)-2,5-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 155611716
[4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;8-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 155610776
4-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 155611873
[4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-(trideuteriomethyl)-8-[4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 155612518
[4-[cyclopentyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 155611208
4-(cyclopentylmethyl)-2-[7-(2-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 166577921
4-(cyclopentylmethyl)-2-(9-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 166577101
2-tert-butyl-8-[4-(cyclohexylmethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 155612745
iridium;8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 155611331
8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 155611899

Frequently Asked Questions

What is the IUPAC name of 8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-2,4-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane?
The IUPAC name of 8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-2,4-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane (CID 155610713) is 8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-2,4-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane.
What is the SMILES notation for 8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-2,4-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane?
The canonical SMILES for 8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-2,4-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane is CC(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc(C)c2c(n1)oc1c(-c3cc(CC4CCCC4)c(C(C)C)cn3)[c-]ccc12.[Ir].
What is the InChIKey of 8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-2,4-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane?
The InChIKey is WSPWAZSHTDMZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N2O.C17H22NSi.Ir/c1-16(2)23-15-28-24(14-20(23)13-19-8-5-6-9-19)21-10-7-11-22-25-17(3)12-18(4)29-27(25)30-26(21)22;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;/h7,11-12,14-16,19H,5-6,8-9,13H2,1-4H3;6-9,11-13H,1-5H3;/q2*-1;.
What are the key properties of 8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-2,4-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane?
8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-2,4-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane has a molecular weight of 858.21 g/mol, XLogP of 11.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(cyclopentylmethyl)-5-propan-2-yl-2-pyridinyl]-2,4-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane is sourced from PubChem (CID 155610713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).