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

C57H55IrN3OSi-2 — CID 162710179

IUPACiridium;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
SMILESCC(C)c1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Si](C)(C)C.Cc1cc(C)c(-c2ccnc(-c3[c-]ccc4c3oc3ccc(C(C)(C)c5ccccc5)nc34)c2)c(C)c1.[Ir]
InChIInChI=1S/C34H29N2O.C23H26NSi.Ir/c1-21-18-22(2)31(23(3)19-21)24-16-17-35-28(20-24)26-12-9-13-27-32-29(37-33(26)27)14-15-30(36-32)34(4,5)25-10-7-6-8-11-25;1-17(2)21-15-22(24-16-23(21)25(3,4)5)20-13-9-12-19(14-20)18-10-7-6-8-11-18;/h6-11,13-20H,1-5H3;6-12,14-17H,1-5H3;/q2*-1;
InChIKeyOLRZFDAHUBEQQY-UHFFFAOYSA-N
MW1018.39 g/mol
LogP14.64
Rot. Bonds8

About 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

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 (PubChem CID 162710179) has the molecular formula C57H55IrN3OSi-2 and a molecular weight of 1018.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameiridium;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
PubChem CID162710179
Molecular FormulaC57H55IrN3OSi-2
Molecular Weight1018.39 g/mol
Exact Mass1018.38
IUPAC Nameiridium;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
SMILESCC(C)c1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Si](C)(C)C.Cc1cc(C)c(-c2ccnc(-c3[c-]ccc4c3oc3ccc(C(C)(C)c5ccccc5)nc34)c2)c(C)c1.[Ir]
InChIInChI=1S/C34H29N2O.C23H26NSi.Ir/c1-21-18-22(2)31(23(3)19-21)24-16-17-35-28(20-24)26-12-9-13-27-32-29(37-33(26)27)14-15-30(36-32)34(4,5)25-10-7-6-8-11-25;1-17(2)21-15-22(24-16-23(21)25(3,4)5)20-13-9-12-19(14-20)18-10-7-6-8-11-18;/h6-11,13-20H,1-5H3;6-12,14-17H,1-5H3;/q2*-1;
InChIKeyOLRZFDAHUBEQQY-UHFFFAOYSA-N
XLogP14.64
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001018.39
LogP ≤ 514.64
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)-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 with MolForge

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Related Compounds

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
4-tert-butyl-2-[8-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(2,4-dimethylbenzene-6-id-1-yl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane;iridium
CID 169038829
[4-(2-deuteriopropan-2-yl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;4-(2,2-dimethylpropyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium
CID 166575629
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-fluoro-8-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 164712518
4-(2-cyclopentylpropan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane
CID 166576131
iridium;4-pentan-3-yl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane
CID 166575463
[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;5-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine
CID 166578833
iridium;4-phenyl-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 166576193
2-[7-(3,5-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-pentan-3-ylpyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 166575619
iridium;4-propan-2-yl-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[4-methyl-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]silane
CID 166577122
4-fluoro-8-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)silane
CID 164712802
2-(8-tert-butyl-6-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 166573374

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Si](C)(C)C.Cc1cc(C)c(-c2ccnc(-c3[c-]ccc4c3oc3ccc(C(C)(C)c5ccccc5)nc34)c2)c(C)c1.[Ir].
What is the InChIKey of 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?
The InChIKey is OLRZFDAHUBEQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N2O.C23H26NSi.Ir/c1-21-18-22(2)31(23(3)19-21)24-16-17-35-28(20-24)26-12-9-13-27-32-29(37-33(26)27)14-15-30(36-32)34(4,5)25-10-7-6-8-11-25;1-17(2)21-15-22(24-16-23(21)25(3,4)5)20-13-9-12-19(14-20)18-10-7-6-8-11-18;/h6-11,13-20H,1-5H3;6-12,14-17H,1-5H3;/q2*-1;.
What are the key properties of 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?
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 has a molecular weight of 1018.39 g/mol, XLogP of 14.64, 8 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)-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 is sourced from PubChem (CID 162710179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).