iridium;2-(2-phenylpropan-2-yl)-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane

C46H49IrN3OSi-2 — CID 162708560

IUPACiridium;2-(2-phenylpropan-2-yl)-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane
SMILESCC(C)c1ccnc(-c2[c-]ccc3c2oc2nc(C(C)(C)c4ccccc4)ccc23)c1.Cc1c[c-]c(-c2cc(C(C)C)c([Si](C)(C)C)cn2)cc1.[Ir]
InChIInChI=1S/C28H25N2O.C18H24NSi.Ir/c1-18(2)19-15-16-29-24(17-19)23-12-8-11-21-22-13-14-25(30-27(22)31-26(21)23)28(3,4)20-9-6-5-7-10-20;1-13(2)16-11-17(15-9-7-14(3)8-10-15)19-12-18(16)20(4,5)6;/h5-11,13-18H,1-4H3;7-9,11-13H,1-6H3;/q2*-1;
InChIKeyMCUSNUHNUNKFQF-UHFFFAOYSA-N
MW880.22 g/mol
LogP11.82
Rot. Bonds7

About iridium;2-(2-phenylpropan-2-yl)-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane

iridium;2-(2-phenylpropan-2-yl)-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane (PubChem CID 162708560) has the molecular formula C46H49IrN3OSi-2 and a molecular weight of 880.22 g/mol. Its IUPAC name is iridium;2-(2-phenylpropan-2-yl)-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane.

Molecular Properties

Compound Nameiridium;2-(2-phenylpropan-2-yl)-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane
PubChem CID162708560
Molecular FormulaC46H49IrN3OSi-2
Molecular Weight880.22 g/mol
Exact Mass880.33
IUPAC Nameiridium;2-(2-phenylpropan-2-yl)-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane
SMILESCC(C)c1ccnc(-c2[c-]ccc3c2oc2nc(C(C)(C)c4ccccc4)ccc23)c1.Cc1c[c-]c(-c2cc(C(C)C)c([Si](C)(C)C)cn2)cc1.[Ir]
InChIInChI=1S/C28H25N2O.C18H24NSi.Ir/c1-18(2)19-15-16-29-24(17-19)23-12-8-11-21-22-13-14-25(30-27(22)31-26(21)23)28(3,4)20-9-6-5-7-10-20;1-13(2)16-11-17(15-9-7-14(3)8-10-15)19-12-18(16)20(4,5)6;/h5-11,13-18H,1-4H3;7-9,11-13H,1-6H3;/q2*-1;
InChIKeyMCUSNUHNUNKFQF-UHFFFAOYSA-N
XLogP11.82
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.22
LogP ≤ 511.82
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 iridium;2-(2-phenylpropan-2-yl)-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

iridium;8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 155610573
iridium;2-(2-phenylpropan-2-yl)-6-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane
CID 162710179
[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium;2-[7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]pyridine
CID 162709139
2-tert-butyl-8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;5-methyl-2-phenylpyridine
CID 154591082
2-(3-benzylbenzene-6-id-1-yl)-4-propan-2-ylpyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane
CID 162710266
2-(3H-dibenzofuran-3-id-4-yl)-4-(2-phenylpropan-2-yl)pyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane
CID 162710240
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
3-fluoro-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(trideuteriomethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
CID 164711689
4-(2-deuteriopropan-2-yl)-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium
CID 164711626
4-(2-deuteriopropan-2-yl)-2-[7-(2,6-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium
CID 166575600
iridium;2-(3-phenylbenzene-6-id-1-yl)-4-propan-2-ylpyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane
CID 162709150
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

Frequently Asked Questions

What is the IUPAC name of iridium;2-(2-phenylpropan-2-yl)-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane?
The IUPAC name of iridium;2-(2-phenylpropan-2-yl)-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane (CID 162708560) is iridium;2-(2-phenylpropan-2-yl)-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane.
What is the SMILES notation for iridium;2-(2-phenylpropan-2-yl)-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane?
The canonical SMILES for iridium;2-(2-phenylpropan-2-yl)-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane is CC(C)c1ccnc(-c2[c-]ccc3c2oc2nc(C(C)(C)c4ccccc4)ccc23)c1.Cc1c[c-]c(-c2cc(C(C)C)c([Si](C)(C)C)cn2)cc1.[Ir].
What is the InChIKey of iridium;2-(2-phenylpropan-2-yl)-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane?
The InChIKey is MCUSNUHNUNKFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N2O.C18H24NSi.Ir/c1-18(2)19-15-16-29-24(17-19)23-12-8-11-21-22-13-14-25(30-27(22)31-26(21)23)28(3,4)20-9-6-5-7-10-20;1-13(2)16-11-17(15-9-7-14(3)8-10-15)19-12-18(16)20(4,5)6;/h5-11,13-18H,1-4H3;7-9,11-13H,1-6H3;/q2*-1;.
What are the key properties of iridium;2-(2-phenylpropan-2-yl)-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane?
iridium;2-(2-phenylpropan-2-yl)-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane has a molecular weight of 880.22 g/mol, XLogP of 11.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-(2-phenylpropan-2-yl)-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane is sourced from PubChem (CID 162708560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).