iridium;8-[1-(10-propan-2-ylphenanthren-9-yl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

C54H47F3IrN4OSi-2 — CID 156671233

IUPACiridium;8-[1-(10-propan-2-ylphenanthren-9-yl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)c1c(-n2c(-c3[c-]ccc4c3oc3nc(C(F)(F)F)ccc34)nc3ccccc32)c2ccccc2c2ccccc12.[Ir]
InChIInChI=1S/C36H23F3N3O.C18H24NSi.Ir/c1-20(2)31-23-12-5-3-10-21(23)22-11-4-6-13-24(22)32(31)42-29-17-8-7-16-28(29)40-34(42)27-15-9-14-25-26-18-19-30(36(37,38)39)41-35(26)43-33(25)27;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h3-14,16-20H,1-2H3;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeySAABFILOMYIFJC-UHFFFAOYSA-N
MW1045.29 g/mol
LogP14.53
Rot. Bonds7

About iridium;8-[1-(10-propan-2-ylphenanthren-9-yl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

iridium;8-[1-(10-propan-2-ylphenanthren-9-yl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (PubChem CID 156671233) has the molecular formula C54H47F3IrN4OSi-2 and a molecular weight of 1045.29 g/mol. Its IUPAC name is iridium;8-[1-(10-propan-2-ylphenanthren-9-yl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

Molecular Properties

Compound Nameiridium;8-[1-(10-propan-2-ylphenanthren-9-yl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
PubChem CID156671233
Molecular FormulaC54H47F3IrN4OSi-2
Molecular Weight1045.29 g/mol
Exact Mass1045.31
IUPAC Nameiridium;8-[1-(10-propan-2-ylphenanthren-9-yl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)c1c(-n2c(-c3[c-]ccc4c3oc3nc(C(F)(F)F)ccc34)nc3ccccc32)c2ccccc2c2ccccc12.[Ir]
InChIInChI=1S/C36H23F3N3O.C18H24NSi.Ir/c1-20(2)31-23-12-5-3-10-21(23)22-11-4-6-13-24(22)32(31)42-29-17-8-7-16-28(29)40-34(42)27-15-9-14-25-26-18-19-30(36(37,38)39)41-35(26)43-33(25)27;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h3-14,16-20H,1-2H3;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeySAABFILOMYIFJC-UHFFFAOYSA-N
XLogP14.53
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001045.29
LogP ≤ 514.53
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze iridium;8-[1-(10-propan-2-ylphenanthren-9-yl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane with MolForge

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Related Compounds

CID 59358726
CID 59358726
2,5-Difluoro-7-methyl-8-[1-methyl-3-(2-phenylphenyl)benzimidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 153464366
8-[1-(2,6-Diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 153464596
8-[1-(2,6-Diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2,5-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 153464811
8-[1-(2,6-Diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 153464826
2,4-Difluoro-7-methyl-8-[1-methyl-3-(2-phenylphenyl)benzimidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 153464901
iridium;1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156658298
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium
CID 156658655
1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156658793
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium
CID 156659082
1-[2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156659744
1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156660200

Frequently Asked Questions

What is the IUPAC name of iridium;8-[1-(10-propan-2-ylphenanthren-9-yl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?
The IUPAC name of iridium;8-[1-(10-propan-2-ylphenanthren-9-yl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (CID 156671233) is iridium;8-[1-(10-propan-2-ylphenanthren-9-yl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.
What is the SMILES notation for iridium;8-[1-(10-propan-2-ylphenanthren-9-yl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?
The canonical SMILES for iridium;8-[1-(10-propan-2-ylphenanthren-9-yl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)c1c(-n2c(-c3[c-]ccc4c3oc3nc(C(F)(F)F)ccc34)nc3ccccc32)c2ccccc2c2ccccc12.[Ir].
What is the InChIKey of iridium;8-[1-(10-propan-2-ylphenanthren-9-yl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?
The InChIKey is SAABFILOMYIFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23F3N3O.C18H24NSi.Ir/c1-20(2)31-23-12-5-3-10-21(23)22-11-4-6-13-24(22)32(31)42-29-17-8-7-16-28(29)40-34(42)27-15-9-14-25-26-18-19-30(36(37,38)39)41-35(26)43-33(25)27;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h3-14,16-20H,1-2H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.
What are the key properties of iridium;8-[1-(10-propan-2-ylphenanthren-9-yl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?
iridium;8-[1-(10-propan-2-ylphenanthren-9-yl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane has a molecular weight of 1045.29 g/mol, XLogP of 14.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;8-[1-(10-propan-2-ylphenanthren-9-yl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is sourced from PubChem (CID 156671233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).