iridium;5-methyl-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane

C57H52IrN4OSi-2 — CID 156657833

IUPACiridium;5-methyl-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
SMILESC[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1ccc2c(n1)nc(-c1[c-]cc(-c3ccccc3)c3c1oc1ccccc13)n2-c1c(C(C)C)cc(-c2ccccc2)cc1C(C)C.[Ir]
InChIInChI=1S/C43H36N3O.C14H16NSi.Ir/c1-26(2)35-24-31(29-14-8-6-9-15-29)25-36(27(3)4)40(35)46-37-23-20-28(5)44-42(37)45-43(46)34-22-21-32(30-16-10-7-11-17-30)39-33-18-12-13-19-38(33)47-41(34)39;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h6-21,23-27H,1-5H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyUIKZFOWFLZOFEX-UHFFFAOYSA-N
MW1029.37 g/mol
LogP14.77
Rot. Bonds8

About iridium;5-methyl-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane

iridium;5-methyl-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane (PubChem CID 156657833) has the molecular formula C57H52IrN4OSi-2 and a molecular weight of 1029.37 g/mol. Its IUPAC name is iridium;5-methyl-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane.

Molecular Properties

Compound Nameiridium;5-methyl-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
PubChem CID156657833
Molecular FormulaC57H52IrN4OSi-2
Molecular Weight1029.37 g/mol
Exact Mass1029.36
IUPAC Nameiridium;5-methyl-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
SMILESC[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1ccc2c(n1)nc(-c1[c-]cc(-c3ccccc3)c3c1oc1ccccc13)n2-c1c(C(C)C)cc(-c2ccccc2)cc1C(C)C.[Ir]
InChIInChI=1S/C43H36N3O.C14H16NSi.Ir/c1-26(2)35-24-31(29-14-8-6-9-15-29)25-36(27(3)4)40(35)46-37-23-20-28(5)44-42(37)45-43(46)34-22-21-32(30-16-10-7-11-17-30)39-33-18-12-13-19-38(33)47-41(34)39;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h6-21,23-27H,1-5H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyUIKZFOWFLZOFEX-UHFFFAOYSA-N
XLogP14.77
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001029.37
LogP ≤ 514.77
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'}

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Related Compounds

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
CID 176823471
CID 176823471
2-(1-fluoro-7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;5-fluoro-2-phenylpyridine;iridium
CID 169299489
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
CID 176823042
CID 176823042
CID 176823422
CID 176823422
1-dibenzofuran-4-yl-2-[1-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156657602
5-(2-deuteriopropan-2-yl)-2-phenylpyridine;iridium;1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-phenyl-1-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole
CID 170941245
CID 176823802
CID 176823802
iridium;3-methyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane
CID 156670277
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
2-[3-(3-fluoro-1-benzofuran-2-yl)benzene-6-id-1-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 176590459

Frequently Asked Questions

What is the IUPAC name of iridium;5-methyl-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane?
The IUPAC name of iridium;5-methyl-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane (CID 156657833) is iridium;5-methyl-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane.
What is the SMILES notation for iridium;5-methyl-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane?
The canonical SMILES for iridium;5-methyl-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane is C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1ccc2c(n1)nc(-c1[c-]cc(-c3ccccc3)c3c1oc1ccccc13)n2-c1c(C(C)C)cc(-c2ccccc2)cc1C(C)C.[Ir].
What is the InChIKey of iridium;5-methyl-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane?
The InChIKey is UIKZFOWFLZOFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H36N3O.C14H16NSi.Ir/c1-26(2)35-24-31(29-14-8-6-9-15-29)25-36(27(3)4)40(35)46-37-23-20-28(5)44-42(37)45-43(46)34-22-21-32(30-16-10-7-11-17-30)39-33-18-12-13-19-38(33)47-41(34)39;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h6-21,23-27H,1-5H3;4-7,9-11H,1-3H3;/q2*-1;.
What are the key properties of iridium;5-methyl-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane?
iridium;5-methyl-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane has a molecular weight of 1029.37 g/mol, XLogP of 14.77, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;5-methyl-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 156657833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).