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

C52H57IrN3OSi-2 — CID 167332662

IUPAC5-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
SMILESCC(C)(C)c1c[c-]c(-c2cc(CC3CCCC3)ccn2)c2oc3nc(-c4ccccc4)ccc3c12.C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.[Ir]
InChIInChI=1S/C32H31N2O.C20H26NSi.Ir/c1-32(2,3)26-15-13-24(28-20-22(17-18-33-28)19-21-9-7-8-10-21)30-29(26)25-14-16-27(34-31(25)35-30)23-11-5-4-6-12-23;1-22(2,3)20-15-21-19(17-11-5-4-6-12-17)14-18(20)13-16-9-7-8-10-16;/h4-6,11-12,14-18,20-21H,7-10,19H2,1-3H3;4-6,11,14-16H,7-10,13H2,1-3H3;/q2*-1;
InChIKeyIEDWWKPIXNPHDF-UHFFFAOYSA-N
MW960.35 g/mol
LogP13.36
Rot. Bonds8

About 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

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 (PubChem CID 167332662) has the molecular formula C52H57IrN3OSi-2 and a molecular weight of 960.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID167332662
Molecular FormulaC52H57IrN3OSi-2
Molecular Weight960.35 g/mol
Exact Mass960.39
IUPAC Name5-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
SMILESCC(C)(C)c1c[c-]c(-c2cc(CC3CCCC3)ccn2)c2oc3nc(-c4ccccc4)ccc3c12.C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.[Ir]
InChIInChI=1S/C32H31N2O.C20H26NSi.Ir/c1-32(2,3)26-15-13-24(28-20-22(17-18-33-28)19-21-9-7-8-10-21)30-29(26)25-14-16-27(34-31(25)35-30)23-11-5-4-6-12-23;1-22(2,3)20-15-21-19(17-11-5-4-6-12-17)14-18(20)13-16-9-7-8-10-16;/h4-6,11-12,14-18,20-21H,7-10,19H2,1-3H3;4-6,11,14-16H,7-10,13H2,1-3H3;/q2*-1;
InChIKeyIEDWWKPIXNPHDF-UHFFFAOYSA-N
XLogP13.36
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500960.35
LogP ≤ 513.36
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 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 with MolForge

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Related Compounds

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
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
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
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
8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-(1-deuteriocyclohexyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 155611154
4-(cyclohexylmethyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578804
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
4-(cyclohexylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 166577406
[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-(2-methylpropyl)-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine
CID 166576095
6-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 169039393
[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 155610912
CID 155610912

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1c[c-]c(-c2cc(CC3CCCC3)ccn2)c2oc3nc(-c4ccccc4)ccc3c12.C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.[Ir].
What is the InChIKey of 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?
The InChIKey is IEDWWKPIXNPHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N2O.C20H26NSi.Ir/c1-32(2,3)26-15-13-24(28-20-22(17-18-33-28)19-21-9-7-8-10-21)30-29(26)25-14-16-27(34-31(25)35-30)23-11-5-4-6-12-23;1-22(2,3)20-15-21-19(17-11-5-4-6-12-17)14-18(20)13-16-9-7-8-10-16;/h4-6,11-12,14-18,20-21H,7-10,19H2,1-3H3;4-6,11,14-16H,7-10,13H2,1-3H3;/q2*-1;.
What are the key properties of 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?
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 has a molecular weight of 960.35 g/mol, XLogP of 13.36, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167332662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).