iridium;2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane

C47H40IrN4OSi-2 — CID 156670299

IUPACiridium;2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane
SMILESC[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cc(C)c(-n2c(-c3[c-]ccc4c3oc3nc(-c5ccccc5)ccc34)nc3ccccc32)c(C)c1.[Ir]
InChIInChI=1S/C33H24N3O.C14H16NSi.Ir/c1-20-18-21(2)30(22(3)19-20)36-29-15-8-7-14-28(29)34-32(36)26-13-9-12-24-25-16-17-27(23-10-5-4-6-11-23)35-33(25)37-31(24)26;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h4-12,14-19H,1-3H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyLPIDKJQUMCSYIT-UHFFFAOYSA-N
MW897.17 g/mol
LogP11.47
Rot. Bonds5

About iridium;2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane

iridium;2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane (PubChem CID 156670299) has the molecular formula C47H40IrN4OSi-2 and a molecular weight of 897.17 g/mol. Its IUPAC name is iridium;2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane.

Molecular Properties

Compound Nameiridium;2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane
PubChem CID156670299
Molecular FormulaC47H40IrN4OSi-2
Molecular Weight897.17 g/mol
Exact Mass897.26
IUPAC Nameiridium;2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane
SMILESC[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cc(C)c(-n2c(-c3[c-]ccc4c3oc3nc(-c5ccccc5)ccc34)nc3ccccc32)c(C)c1.[Ir]
InChIInChI=1S/C33H24N3O.C14H16NSi.Ir/c1-20-18-21(2)30(22(3)19-20)36-29-15-8-7-14-28(29)34-32(36)26-13-9-12-24-25-16-17-27(23-10-5-4-6-11-23)35-33(25)37-31(24)26;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h4-12,14-19H,1-3H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyLPIDKJQUMCSYIT-UHFFFAOYSA-N
XLogP11.47
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.17
LogP ≤ 511.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze iridium;2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane with MolForge

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Related Compounds

8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156670468
1-[2,6-di(butan-2-yl)-4-methylphenyl]-2-phenylbenzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]silane
CID 170531912
2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156658093
2-[7-(2,6-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]-1-(2,6-diphenylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 167332821
iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156670648
iridium(3+);2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;bis(trimethyl-(6-phenyl-3-pyridinyl)silane)
CID 171052103
2-(3H-dibenzofuran-3-id-4-yl)-1-(2,5-diphenylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156658677
iridium;2-phenyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156669944
4-(3,5-difluorophenyl)-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-5-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)silane)
CID 160653215
CID 176823802
CID 176823802
2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156658615
8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156669875

Frequently Asked Questions

What is the IUPAC name of iridium;2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane?
The IUPAC name of iridium;2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane (CID 156670299) is iridium;2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane.
What is the SMILES notation for iridium;2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane?
The canonical SMILES for iridium;2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane is C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cc(C)c(-n2c(-c3[c-]ccc4c3oc3nc(-c5ccccc5)ccc34)nc3ccccc32)c(C)c1.[Ir].
What is the InChIKey of iridium;2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane?
The InChIKey is LPIDKJQUMCSYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N3O.C14H16NSi.Ir/c1-20-18-21(2)30(22(3)19-20)36-29-15-8-7-14-28(29)34-32(36)26-13-9-12-24-25-16-17-27(23-10-5-4-6-11-23)35-33(25)37-31(24)26;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h4-12,14-19H,1-3H3;4-7,9-11H,1-3H3;/q2*-1;.
What are the key properties of iridium;2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane?
iridium;2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane has a molecular weight of 897.17 g/mol, XLogP of 11.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 156670299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).