5-tert-butyl-2-phenylpyridine;1-[4-[4-(1,1-dimethylsilinan-4-yl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium

C65H65IrN3OSi-2 — CID 176802793

IUPAC5-tert-butyl-2-phenylpyridine;1-[4-[4-(1,1-dimethylsilinan-4-yl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium
SMILESCC(C)(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)c1cc(-c2ccc(C3CC[Si](C)(C)CC3)cc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21.[Ir]
InChIInChI=1S/C50H49N2OSi.C15H16N.Ir/c1-32(2)43-29-39(36-21-19-35(20-22-36)37-25-27-54(5,6)28-26-37)30-44(33(3)4)48(43)52-46-18-11-10-17-45(46)51-50(52)42-16-12-15-41-40-24-23-38(31-47(40)53-49(41)42)34-13-8-7-9-14-34;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h7-15,17-24,29-33,37H,25-28H2,1-6H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyJTTFIBMPMKJZSV-UHFFFAOYSA-N
MW1124.56 g/mol
LogP18.40
Rot. Bonds8

About 5-tert-butyl-2-phenylpyridine;1-[4-[4-(1,1-dimethylsilinan-4-yl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium

5-tert-butyl-2-phenylpyridine;1-[4-[4-(1,1-dimethylsilinan-4-yl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium (PubChem CID 176802793) has the molecular formula C65H65IrN3OSi-2 and a molecular weight of 1124.56 g/mol. Its IUPAC name is 5-tert-butyl-2-phenylpyridine;1-[4-[4-(1,1-dimethylsilinan-4-yl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium.

Molecular Properties

Compound Name5-tert-butyl-2-phenylpyridine;1-[4-[4-(1,1-dimethylsilinan-4-yl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium
PubChem CID176802793
Molecular FormulaC65H65IrN3OSi-2
Molecular Weight1124.56 g/mol
Exact Mass1124.45
IUPAC Name5-tert-butyl-2-phenylpyridine;1-[4-[4-(1,1-dimethylsilinan-4-yl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium
SMILESCC(C)(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)c1cc(-c2ccc(C3CC[Si](C)(C)CC3)cc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21.[Ir]
InChIInChI=1S/C50H49N2OSi.C15H16N.Ir/c1-32(2)43-29-39(36-21-19-35(20-22-36)37-25-27-54(5,6)28-26-37)30-44(33(3)4)48(43)52-46-18-11-10-17-45(46)51-50(52)42-16-12-15-41-40-24-23-38(31-47(40)53-49(41)42)34-13-8-7-9-14-34;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h7-15,17-24,29-33,37H,25-28H2,1-6H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyJTTFIBMPMKJZSV-UHFFFAOYSA-N
XLogP18.40
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001124.56
LogP ≤ 518.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-[4-[4-(1,1-dimethylsilinan-4-yl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 176802794
5-tert-butyl-2-phenylpyridine;3-(3,5-dicyclopentylphenyl)-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium
CID 176645844
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
iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenylpyridine
CID 167388197
5-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)pyridine;1-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium
CID 170537726
2-[7-(4-tert-butylphenyl)-3H-dibenzofuran-3-id-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;4-tert-butyl-2-phenyl-5-(trideuteriomethyl)pyridine;iridium
CID 176583710
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
1-[4-(4-tert-butylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium
CID 170537733
2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;2-phenylpyridine
CID 167387978
CID 176823381
CID 176823381
4-(2-deuteriopropan-2-yl)-2-phenylpyridine;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 170941238
CID 177102476
CID 177102476

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-phenylpyridine;1-[4-[4-(1,1-dimethylsilinan-4-yl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium?
The IUPAC name of 5-tert-butyl-2-phenylpyridine;1-[4-[4-(1,1-dimethylsilinan-4-yl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium (CID 176802793) is 5-tert-butyl-2-phenylpyridine;1-[4-[4-(1,1-dimethylsilinan-4-yl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium.
What is the SMILES notation for 5-tert-butyl-2-phenylpyridine;1-[4-[4-(1,1-dimethylsilinan-4-yl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium?
The canonical SMILES for 5-tert-butyl-2-phenylpyridine;1-[4-[4-(1,1-dimethylsilinan-4-yl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium is CC(C)(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)c1cc(-c2ccc(C3CC[Si](C)(C)CC3)cc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21.[Ir].
What is the InChIKey of 5-tert-butyl-2-phenylpyridine;1-[4-[4-(1,1-dimethylsilinan-4-yl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium?
The InChIKey is JTTFIBMPMKJZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H49N2OSi.C15H16N.Ir/c1-32(2)43-29-39(36-21-19-35(20-22-36)37-25-27-54(5,6)28-26-37)30-44(33(3)4)48(43)52-46-18-11-10-17-45(46)51-50(52)42-16-12-15-41-40-24-23-38(31-47(40)53-49(41)42)34-13-8-7-9-14-34;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h7-15,17-24,29-33,37H,25-28H2,1-6H3;4-7,9-11H,1-3H3;/q2*-1;.
What are the key properties of 5-tert-butyl-2-phenylpyridine;1-[4-[4-(1,1-dimethylsilinan-4-yl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium?
5-tert-butyl-2-phenylpyridine;1-[4-[4-(1,1-dimethylsilinan-4-yl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium has a molecular weight of 1124.56 g/mol, XLogP of 18.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-phenylpyridine;1-[4-[4-(1,1-dimethylsilinan-4-yl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium is sourced from PubChem (CID 176802793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).