6-tert-butyl-3-phenyl-[1]benzofuro[3,2-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane

C35H34IrN2OSi-2 — CID 169291733

IUPAC6-tert-butyl-3-phenyl-[1]benzofuro[3,2-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
SMILESCC(C)(C)c1cccc2c1oc1cc(-c3[c-]cccc3)ncc12.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir]
InChIInChI=1S/C21H18NO.C14H16NSi.Ir/c1-21(2,3)17-11-7-10-15-16-13-22-18(12-19(16)23-20(15)17)14-8-5-4-6-9-14;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h4-8,10-13H,1-3H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyNMSFYUYFSXYTFA-UHFFFAOYSA-N
MW718.97 g/mol
LogP8.84
Rot. Bonds3

About 6-tert-butyl-3-phenyl-[1]benzofuro[3,2-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane

6-tert-butyl-3-phenyl-[1]benzofuro[3,2-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (PubChem CID 169291733) has the molecular formula C35H34IrN2OSi-2 and a molecular weight of 718.97 g/mol. Its IUPAC name is 6-tert-butyl-3-phenyl-[1]benzofuro[3,2-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.

Molecular Properties

Compound Name6-tert-butyl-3-phenyl-[1]benzofuro[3,2-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
PubChem CID169291733
Molecular FormulaC35H34IrN2OSi-2
Molecular Weight718.97 g/mol
Exact Mass719.21
IUPAC Name6-tert-butyl-3-phenyl-[1]benzofuro[3,2-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
SMILESCC(C)(C)c1cccc2c1oc1cc(-c3[c-]cccc3)ncc12.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir]
InChIInChI=1S/C21H18NO.C14H16NSi.Ir/c1-21(2,3)17-11-7-10-15-16-13-22-18(12-19(16)23-20(15)17)14-8-5-4-6-9-14;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h4-8,10-13H,1-3H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyNMSFYUYFSXYTFA-UHFFFAOYSA-N
XLogP8.84
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.97
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

4-benzyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 162708620
4-tert-butyl-5-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 171435891
iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(3-phenyl-[1]benzofuro[3,2-c]pyridin-6-yl)silane
CID 166018685
2-[7-(4-tert-butylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166575719
3-(3H-dibenzofuran-3-id-4-yl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 176822649
4-tert-butyl-2-[7-(1-phenylethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 162707564
2-(7-benzyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 162708739
[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 162498233
iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]silane
CID 155608840
iridium;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[8-(4-propan-2-yl-2-pyridinyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-5-yl]germane
CID 164832379
4-tert-butyl-2-[7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-2-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 162710292
CID 177109827
CID 177109827

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-phenyl-[1]benzofuro[3,2-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?
The IUPAC name of 6-tert-butyl-3-phenyl-[1]benzofuro[3,2-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (CID 169291733) is 6-tert-butyl-3-phenyl-[1]benzofuro[3,2-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.
What is the SMILES notation for 6-tert-butyl-3-phenyl-[1]benzofuro[3,2-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?
The canonical SMILES for 6-tert-butyl-3-phenyl-[1]benzofuro[3,2-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is CC(C)(C)c1cccc2c1oc1cc(-c3[c-]cccc3)ncc12.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].
What is the InChIKey of 6-tert-butyl-3-phenyl-[1]benzofuro[3,2-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?
The InChIKey is NMSFYUYFSXYTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18NO.C14H16NSi.Ir/c1-21(2,3)17-11-7-10-15-16-13-22-18(12-19(16)23-20(15)17)14-8-5-4-6-9-14;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h4-8,10-13H,1-3H3;4-7,9-11H,1-3H3;/q2*-1;.
What are the key properties of 6-tert-butyl-3-phenyl-[1]benzofuro[3,2-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?
6-tert-butyl-3-phenyl-[1]benzofuro[3,2-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane has a molecular weight of 718.97 g/mol, XLogP of 8.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-phenyl-[1]benzofuro[3,2-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 169291733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).