6-[1-(2-tert-butyl-4-phenylphenyl)-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-9-methyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane

C54H55IrN5OSi-2 — CID 156671276

IUPAC6-[1-(2-tert-butyl-4-phenylphenyl)-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-9-methyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
SMILESCC(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1c[c-]c(-c2nc3cnc(C(C)C)cc3n2-c2ccc(-c3ccccc3)cc2C(C)(C)C)c2oc3cccnc3c12.[Ir]
InChIInChI=1S/C37H33N4O.C17H22NSi.Ir/c1-22(2)28-20-31-29(21-39-28)40-36(26-16-14-23(3)33-34-32(42-35(26)33)13-10-18-38-34)41(31)30-17-15-25(19-27(30)37(4,5)6)24-11-8-7-9-12-24;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;/h7-15,17-22H,1-6H3;6-9,11-13H,1-5H3;/q2*-1;
InChIKeyCXLLCSYBUOEANM-UHFFFAOYSA-N
MW1010.37 g/mol
LogP13.79
Rot. Bonds7

About 6-[1-(2-tert-butyl-4-phenylphenyl)-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-9-methyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane

6-[1-(2-tert-butyl-4-phenylphenyl)-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-9-methyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane (PubChem CID 156671276) has the molecular formula C54H55IrN5OSi-2 and a molecular weight of 1010.37 g/mol. Its IUPAC name is 6-[1-(2-tert-butyl-4-phenylphenyl)-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-9-methyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane.

Molecular Properties

Compound Name6-[1-(2-tert-butyl-4-phenylphenyl)-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-9-methyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
PubChem CID156671276
Molecular FormulaC54H55IrN5OSi-2
Molecular Weight1010.37 g/mol
Exact Mass1010.38
IUPAC Name6-[1-(2-tert-butyl-4-phenylphenyl)-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-9-methyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
SMILESCC(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1c[c-]c(-c2nc3cnc(C(C)C)cc3n2-c2ccc(-c3ccccc3)cc2C(C)(C)C)c2oc3cccnc3c12.[Ir]
InChIInChI=1S/C37H33N4O.C17H22NSi.Ir/c1-22(2)28-20-31-29(21-39-28)40-36(26-16-14-23(3)33-34-32(42-35(26)33)13-10-18-38-34)41(31)30-17-15-25(19-27(30)37(4,5)6)24-11-8-7-9-12-24;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;/h7-15,17-22H,1-6H3;6-9,11-13H,1-5H3;/q2*-1;
InChIKeyCXLLCSYBUOEANM-UHFFFAOYSA-N
XLogP13.79
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001010.37
LogP ≤ 513.79
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 6-[1-(2-tert-butyl-4-phenylphenyl)-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-9-methyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane with MolForge

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Launch Full Analysis

Related Compounds

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
3-[1-(2-tert-butyl-4-phenylphenyl)-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-5,8-dimethyl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane
CID 156669425
8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-5-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane
CID 156670422
3-[1-(2-tert-butyl-4-phenylphenyl)-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-5,8-dimethyl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-(4-naphthalen-1-yl-6-phenyl-3-pyridinyl)silane
CID 156672257
8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-5-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156672161
8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156670701
3-(2-tert-butyl-4-phenylphenyl)-2-(1-methyl-3H-dibenzothiophen-3-id-4-yl)imidazo[4,5-c]pyridine;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 156659956
8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156670947
8-[1-(2-tert-butyl-4-phenylphenyl)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 156670140
8-[3-(2-tert-butyl-4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 156672327
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
8-(4-tert-butyl-2-pyridinyl)-2,5-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 155611716

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-tert-butyl-4-phenylphenyl)-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-9-methyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane?
The IUPAC name of 6-[1-(2-tert-butyl-4-phenylphenyl)-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-9-methyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane (CID 156671276) is 6-[1-(2-tert-butyl-4-phenylphenyl)-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-9-methyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane.
What is the SMILES notation for 6-[1-(2-tert-butyl-4-phenylphenyl)-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-9-methyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane?
The canonical SMILES for 6-[1-(2-tert-butyl-4-phenylphenyl)-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-9-methyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane is CC(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1c[c-]c(-c2nc3cnc(C(C)C)cc3n2-c2ccc(-c3ccccc3)cc2C(C)(C)C)c2oc3cccnc3c12.[Ir].
What is the InChIKey of 6-[1-(2-tert-butyl-4-phenylphenyl)-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-9-methyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane?
The InChIKey is CXLLCSYBUOEANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33N4O.C17H22NSi.Ir/c1-22(2)28-20-31-29(21-39-28)40-36(26-16-14-23(3)33-34-32(42-35(26)33)13-10-18-38-34)41(31)30-17-15-25(19-27(30)37(4,5)6)24-11-8-7-9-12-24;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;/h7-15,17-22H,1-6H3;6-9,11-13H,1-5H3;/q2*-1;.
What are the key properties of 6-[1-(2-tert-butyl-4-phenylphenyl)-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-9-methyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane?
6-[1-(2-tert-butyl-4-phenylphenyl)-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-9-methyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane has a molecular weight of 1010.37 g/mol, XLogP of 13.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-tert-butyl-4-phenylphenyl)-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-9-methyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane is sourced from PubChem (CID 156671276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).