3-[4-(cyclopentylmethyl)-2-pyridinyl]-2H-[1]benzofuro[2,3-b]pyridin-2-ide;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;iridium

C41H43IrN3OSi-2 — CID 155612256

IUPAC3-[4-(cyclopentylmethyl)-2-pyridinyl]-2H-[1]benzofuro[2,3-b]pyridin-2-ide;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;iridium
SMILESC[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1C1CCCC1.[Ir].[c-]1nc2oc3ccccc3c2cc1-c1cc(CC2CCCC2)ccn1
InChIInChI=1S/C22H19N2O.C19H24NSi.Ir/c1-2-6-15(5-1)11-16-9-10-23-20(12-16)17-13-19-18-7-3-4-8-21(18)25-22(19)24-14-17;1-21(2,3)19-14-20-18(16-11-5-4-6-12-16)13-17(19)15-9-7-8-10-15;/h3-4,7-10,12-13,15H,1-2,5-6,11H2;4-6,11,13-15H,7-10H2,1-3H3;/q2*-1;
InChIKeyGBHSULVFXZCFAP-UHFFFAOYSA-N
MW814.12 g/mol
LogP10.32
Rot. Bonds6

About 3-[4-(cyclopentylmethyl)-2-pyridinyl]-2H-[1]benzofuro[2,3-b]pyridin-2-ide;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;iridium

3-[4-(cyclopentylmethyl)-2-pyridinyl]-2H-[1]benzofuro[2,3-b]pyridin-2-ide;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;iridium (PubChem CID 155612256) has the molecular formula C41H43IrN3OSi-2 and a molecular weight of 814.12 g/mol. Its IUPAC name is 3-[4-(cyclopentylmethyl)-2-pyridinyl]-2H-[1]benzofuro[2,3-b]pyridin-2-ide;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;iridium.

Molecular Properties

Compound Name3-[4-(cyclopentylmethyl)-2-pyridinyl]-2H-[1]benzofuro[2,3-b]pyridin-2-ide;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;iridium
PubChem CID155612256
Molecular FormulaC41H43IrN3OSi-2
Molecular Weight814.12 g/mol
Exact Mass814.28
IUPAC Name3-[4-(cyclopentylmethyl)-2-pyridinyl]-2H-[1]benzofuro[2,3-b]pyridin-2-ide;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;iridium
SMILESC[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1C1CCCC1.[Ir].[c-]1nc2oc3ccccc3c2cc1-c1cc(CC2CCCC2)ccn1
InChIInChI=1S/C22H19N2O.C19H24NSi.Ir/c1-2-6-15(5-1)11-16-9-10-23-20(12-16)17-13-19-18-7-3-4-8-21(18)25-22(19)24-14-17;1-21(2,3)19-14-20-18(16-11-5-4-6-12-16)13-17(19)15-9-7-8-10-15;/h3-4,7-10,12-13,15H,1-2,5-6,11H2;4-6,11,13-15H,7-10H2,1-3H3;/q2*-1;
InChIKeyGBHSULVFXZCFAP-UHFFFAOYSA-N
XLogP10.32
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.12
LogP ≤ 510.32
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 3-[4-(cyclopentylmethyl)-2-pyridinyl]-2H-[1]benzofuro[2,3-b]pyridin-2-ide;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;iridium with MolForge

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Launch Full Analysis

Related Compounds

(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;iridium
CID 140739402
6-[4-(cyclohexylmethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 155612679
4-(cyclopentylmethyl)-2-(1-fluoro-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 164712623
4-(cyclohexylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 166577406
(4-benzyl-6-phenyl-3-pyridinyl)-trimethylsilane;4-(cyclopentylmethyl)-2-(8-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;iridium
CID 166577988
4-(cyclohexylmethyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578804
5-tert-butyl-8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 167332662
[6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 162498235
8-[4-(cyclohexylmethyl)-2-pyridinyl]-2-dibenzofuran-4-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 155611194
3-benzyl-2-phenylpyridine;4-(cyclopentylmethyl)-2-(3H-dibenzofuran-3-id-2-yl)pyridine;iridium
CID 162709864
4-(cyclopentylmethyl)-2-(7-fluoro-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 164712406
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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopentylmethyl)-2-pyridinyl]-2H-[1]benzofuro[2,3-b]pyridin-2-ide;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;iridium?
The IUPAC name of 3-[4-(cyclopentylmethyl)-2-pyridinyl]-2H-[1]benzofuro[2,3-b]pyridin-2-ide;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;iridium (CID 155612256) is 3-[4-(cyclopentylmethyl)-2-pyridinyl]-2H-[1]benzofuro[2,3-b]pyridin-2-ide;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;iridium.
What is the SMILES notation for 3-[4-(cyclopentylmethyl)-2-pyridinyl]-2H-[1]benzofuro[2,3-b]pyridin-2-ide;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;iridium?
The canonical SMILES for 3-[4-(cyclopentylmethyl)-2-pyridinyl]-2H-[1]benzofuro[2,3-b]pyridin-2-ide;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;iridium is C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1C1CCCC1.[Ir].[c-]1nc2oc3ccccc3c2cc1-c1cc(CC2CCCC2)ccn1.
What is the InChIKey of 3-[4-(cyclopentylmethyl)-2-pyridinyl]-2H-[1]benzofuro[2,3-b]pyridin-2-ide;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;iridium?
The InChIKey is GBHSULVFXZCFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N2O.C19H24NSi.Ir/c1-2-6-15(5-1)11-16-9-10-23-20(12-16)17-13-19-18-7-3-4-8-21(18)25-22(19)24-14-17;1-21(2,3)19-14-20-18(16-11-5-4-6-12-16)13-17(19)15-9-7-8-10-15;/h3-4,7-10,12-13,15H,1-2,5-6,11H2;4-6,11,13-15H,7-10H2,1-3H3;/q2*-1;.
What are the key properties of 3-[4-(cyclopentylmethyl)-2-pyridinyl]-2H-[1]benzofuro[2,3-b]pyridin-2-ide;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;iridium?
3-[4-(cyclopentylmethyl)-2-pyridinyl]-2H-[1]benzofuro[2,3-b]pyridin-2-ide;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;iridium has a molecular weight of 814.12 g/mol, XLogP of 10.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopentylmethyl)-2-pyridinyl]-2H-[1]benzofuro[2,3-b]pyridin-2-ide;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;iridium is sourced from PubChem (CID 155612256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).