iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;2,3,5-trimethyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide

C51H48IrN4OSi-2 — CID 156669477

IUPACiridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;2,3,5-trimethyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc2c(nc1C)oc1c(-c3nc4ccccc4n3-c3ccccc3-c3ccccc3)[c-]cc(C)c12.[Ir]
InChIInChI=1S/C33H24N3O.C18H24NSi.Ir/c1-20-17-18-25(31-30(20)26-19-21(2)22(3)34-33(26)37-31)32-35-27-14-8-10-16-29(27)36(32)28-15-9-7-13-24(28)23-11-5-4-6-12-23;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h4-17,19H,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeyLBPIFZNBONRJNI-UHFFFAOYSA-N
MW953.27 g/mol
LogP12.67
Rot. Bonds7

About iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;2,3,5-trimethyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide

iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;2,3,5-trimethyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide (PubChem CID 156669477) has the molecular formula C51H48IrN4OSi-2 and a molecular weight of 953.27 g/mol. Its IUPAC name is iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;2,3,5-trimethyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

Molecular Properties

Compound Nameiridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;2,3,5-trimethyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
PubChem CID156669477
Molecular FormulaC51H48IrN4OSi-2
Molecular Weight953.27 g/mol
Exact Mass953.32
IUPAC Nameiridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;2,3,5-trimethyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc2c(nc1C)oc1c(-c3nc4ccccc4n3-c3ccccc3-c3ccccc3)[c-]cc(C)c12.[Ir]
InChIInChI=1S/C33H24N3O.C18H24NSi.Ir/c1-20-17-18-25(31-30(20)26-19-21(2)22(3)34-33(26)37-31)32-35-27-14-8-10-16-29(27)36(32)28-15-9-7-13-24(28)23-11-5-4-6-12-23;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h4-17,19H,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeyLBPIFZNBONRJNI-UHFFFAOYSA-N
XLogP12.67
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500953.27
LogP ≤ 512.67
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;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;2,3,5-trimethyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide with MolForge

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Related Compounds

2-tert-butyl-5-methyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156670478
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
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
2-tert-butyl-8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156667742
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
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
8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-(2,6-dimethylphenyl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156670567
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;8-[1-(2-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156670876
8-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156667971
iridium;2-methyl-5-propan-2-yl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156670506
iridium;2-methyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156672373

Frequently Asked Questions

What is the IUPAC name of iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;2,3,5-trimethyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide?
The IUPAC name of iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;2,3,5-trimethyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide (CID 156669477) is iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;2,3,5-trimethyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide.
What is the SMILES notation for iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;2,3,5-trimethyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide?
The canonical SMILES for iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;2,3,5-trimethyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc2c(nc1C)oc1c(-c3nc4ccccc4n3-c3ccccc3-c3ccccc3)[c-]cc(C)c12.[Ir].
What is the InChIKey of iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;2,3,5-trimethyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide?
The InChIKey is LBPIFZNBONRJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N3O.C18H24NSi.Ir/c1-20-17-18-25(31-30(20)26-19-21(2)22(3)34-33(26)37-31)32-35-27-14-8-10-16-29(27)36(32)28-15-9-7-13-24(28)23-11-5-4-6-12-23;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h4-17,19H,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.
What are the key properties of iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;2,3,5-trimethyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide?
iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;2,3,5-trimethyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide has a molecular weight of 953.27 g/mol, XLogP of 12.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;2,3,5-trimethyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide is sourced from PubChem (CID 156669477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).