[4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;6-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]imidazo[4,5-c]pyridin-2-yl]-3,9-dimethyl-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium

C57H59IrN5OSi-2 — CID 166499343

IUPAC[4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;6-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]imidazo[4,5-c]pyridin-2-yl]-3,9-dimethyl-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium
SMILESC[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CC2CCC1C2.Cc1cc2oc3c(-c4nc5cnccc5n4-c4c(C(C)C)cc5ccccc5c4C(C)C)[c-]cc(C)c3c2cn1.[Ir]
InChIInChI=1S/C35H31N4O.C22H28NSi.Ir/c1-19(2)26-16-23-9-7-8-10-24(23)31(20(3)4)33(26)39-29-13-14-36-18-28(29)38-35(39)25-12-11-21(5)32-27-17-37-22(6)15-30(27)40-34(25)32;1-24(2,3)22-15-23-21(17-7-5-4-6-8-17)14-20(22)13-19-12-16-9-10-18(19)11-16;/h7-11,13-20H,1-6H3;4-7,14-16,18-19H,9-13H2,1-3H3;/q2*-1;
InChIKeyLORVBTLPXKOUKB-UHFFFAOYSA-N
MW1050.44 g/mol
LogP14.27
Rot. Bonds8

About [4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;6-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]imidazo[4,5-c]pyridin-2-yl]-3,9-dimethyl-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium

[4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;6-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]imidazo[4,5-c]pyridin-2-yl]-3,9-dimethyl-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium (PubChem CID 166499343) has the molecular formula C57H59IrN5OSi-2 and a molecular weight of 1050.44 g/mol. Its IUPAC name is [4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;6-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]imidazo[4,5-c]pyridin-2-yl]-3,9-dimethyl-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium.

Molecular Properties

Compound Name[4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;6-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]imidazo[4,5-c]pyridin-2-yl]-3,9-dimethyl-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium
PubChem CID166499343
Molecular FormulaC57H59IrN5OSi-2
Molecular Weight1050.44 g/mol
Exact Mass1050.41
IUPAC Name[4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;6-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]imidazo[4,5-c]pyridin-2-yl]-3,9-dimethyl-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium
SMILESC[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CC2CCC1C2.Cc1cc2oc3c(-c4nc5cnccc5n4-c4c(C(C)C)cc5ccccc5c4C(C)C)[c-]cc(C)c3c2cn1.[Ir]
InChIInChI=1S/C35H31N4O.C22H28NSi.Ir/c1-19(2)26-16-23-9-7-8-10-24(23)31(20(3)4)33(26)39-29-13-14-36-18-28(29)38-35(39)25-12-11-21(5)32-27-17-37-22(6)15-30(27)40-34(25)32;1-24(2,3)22-15-23-21(17-7-5-4-6-8-17)14-20(22)13-19-12-16-9-10-18(19)11-16;/h7-11,13-20H,1-6H3;4-7,14-16,18-19H,9-13H2,1-3H3;/q2*-1;
InChIKeyLORVBTLPXKOUKB-UHFFFAOYSA-N
XLogP14.27
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001050.44
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;6-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]imidazo[4,5-c]pyridin-2-yl]-3,9-dimethyl-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium with MolForge

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Related Compounds

[4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;1,3,5-trimethyl-8-[6-methyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide
CID 156668182
[4-(2-adamantylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(2-bicyclo[2.2.2]octanylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;pentakis(2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole);[4-(2,6-dimethylphenyl)-6-phenyl-3-pyridinyl]-trimethylsilane;pentakis(iridium);trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)silane
CID 163495908
[4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-tert-butyl-5-methyl-8-[6-methyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 166498813
iridium;5-methyl-2-phenyl-8-[1-(10-propan-2-ylphenanthren-9-yl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156669830
[4-(2-adamantylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;(4-benzyl-6-phenyl-3-pyridinyl)-trimethylsilane;8-(3-benzyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-1-methyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;[4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(2-bicyclo[2.2.2]octanylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[3-(4-tert-butylphenyl)-6-methylimidazo[4,5-c]pyridin-2-yl]-3-methyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;6-[1-(4-tert-butyl-2-phenylphenyl)-4,6-dimethylimidazo[4,5-c]pyridin-2-yl]-2-methyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;1,3-dimethyl-6-[4-methyl-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;[4-(2,6-dimethylphenyl)-6-phenyl-3-pyridinyl]-trimethylsilane;6-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]imidazo[4,5-c]pyridin-2-yl]-3,9-dimethyl-7H-[1]benzofuro[3,2-c]pyridin-7-ide;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-1,3-dimethyl-7H-[1]benzofuro[2,3-c]pyridin-7-ide;[4-(2-ethylbutyl)-6-phenyl-3-pyridinyl]-trimethylsilane;octakis(iridium);3-methyl-6-(6-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[3,2-c]pyridin-7-ide;1,3,5-trimethyl-8-[6-methyl-1-(2,4,6-trimethylphenyl)imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;trimethyl-[6-phenyl-4-(1-phenylethyl)-3-pyridinyl]silane;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)silane
CID 159581459
2,5-dimethyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156670634
9-[4-[3-[2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-3H-dibenzofuran-3-id-1-yl]carbazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 164741937
1-(2-tert-butyl-4-phenylphenyl)-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 156660334
1-dibenzofuran-4-yl-2-(7-fluoro-1-methyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[4-(2,3-dimethylbutyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 156658041
iridium;9-[1-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-2H-dibenzofuran-2-id-4-yl]carbazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 164741877
2-tert-butyl-8-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-tert-butyl-8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-tert-butyl-5-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-tert-butyl-5-methyl-8-[1-(10-propan-2-ylphenanthren-9-yl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)
CID 159772658
[4-(cyclopentylmethyl)-6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)benzimidazole;iridium
CID 156658097

Frequently Asked Questions

What is the IUPAC name of [4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;6-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]imidazo[4,5-c]pyridin-2-yl]-3,9-dimethyl-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium?
The IUPAC name of [4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;6-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]imidazo[4,5-c]pyridin-2-yl]-3,9-dimethyl-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium (CID 166499343) is [4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;6-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]imidazo[4,5-c]pyridin-2-yl]-3,9-dimethyl-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium.
What is the SMILES notation for [4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;6-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]imidazo[4,5-c]pyridin-2-yl]-3,9-dimethyl-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium?
The canonical SMILES for [4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;6-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]imidazo[4,5-c]pyridin-2-yl]-3,9-dimethyl-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium is C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CC2CCC1C2.Cc1cc2oc3c(-c4nc5cnccc5n4-c4c(C(C)C)cc5ccccc5c4C(C)C)[c-]cc(C)c3c2cn1.[Ir].
What is the InChIKey of [4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;6-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]imidazo[4,5-c]pyridin-2-yl]-3,9-dimethyl-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium?
The InChIKey is LORVBTLPXKOUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31N4O.C22H28NSi.Ir/c1-19(2)26-16-23-9-7-8-10-24(23)31(20(3)4)33(26)39-29-13-14-36-18-28(29)38-35(39)25-12-11-21(5)32-27-17-37-22(6)15-30(27)40-34(25)32;1-24(2,3)22-15-23-21(17-7-5-4-6-8-17)14-20(22)13-19-12-16-9-10-18(19)11-16;/h7-11,13-20H,1-6H3;4-7,14-16,18-19H,9-13H2,1-3H3;/q2*-1;.
What are the key properties of [4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;6-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]imidazo[4,5-c]pyridin-2-yl]-3,9-dimethyl-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium?
[4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;6-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]imidazo[4,5-c]pyridin-2-yl]-3,9-dimethyl-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium has a molecular weight of 1050.44 g/mol, XLogP of 14.27, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bicyclo[2.2.1]heptanylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;6-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]imidazo[4,5-c]pyridin-2-yl]-3,9-dimethyl-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium is sourced from PubChem (CID 166499343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).