1-(2,6-dimethyl-4-phenylphenyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium

C63H54FIrN3OSi-2 — CID 156657733

IUPAC1-(2,6-dimethyl-4-phenylphenyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium
SMILESCC(C)Cc1cc(-c2[c-]cc(F)c(-c3ccccc3)c2)ncc1[Si](C)(C)C.Cc1cc(-c2ccccc2)cc(C)c1-n1c(-c2[c-]ccc3c2oc2ccc(-c4ccccc4)cc23)nc2ccccc21.[Ir]
InChIInChI=1S/C39H27N2O.C24H27FNSi.Ir/c1-25-22-30(28-14-7-4-8-15-28)23-26(2)37(25)41-35-19-10-9-18-34(35)40-39(41)32-17-11-16-31-33-24-29(27-12-5-3-6-13-27)20-21-36(33)42-38(31)32;1-17(2)13-20-15-23(26-16-24(20)27(3,4)5)19-11-12-22(25)21(14-19)18-9-7-6-8-10-18;/h3-16,18-24H,1-2H3;6-10,12,14-17H,13H2,1-5H3;/q2*-1;
InChIKeyKMILCWCDKNDDCQ-UHFFFAOYSA-N
MW1108.45 g/mol
LogP16.44
Rot. Bonds9

About 1-(2,6-dimethyl-4-phenylphenyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium

1-(2,6-dimethyl-4-phenylphenyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 156657733) has the molecular formula C63H54FIrN3OSi-2 and a molecular weight of 1108.45 g/mol. Its IUPAC name is 1-(2,6-dimethyl-4-phenylphenyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

Compound Name1-(2,6-dimethyl-4-phenylphenyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium
PubChem CID156657733
Molecular FormulaC63H54FIrN3OSi-2
Molecular Weight1108.45 g/mol
Exact Mass1108.37
IUPAC Name1-(2,6-dimethyl-4-phenylphenyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium
SMILESCC(C)Cc1cc(-c2[c-]cc(F)c(-c3ccccc3)c2)ncc1[Si](C)(C)C.Cc1cc(-c2ccccc2)cc(C)c1-n1c(-c2[c-]ccc3c2oc2ccc(-c4ccccc4)cc23)nc2ccccc21.[Ir]
InChIInChI=1S/C39H27N2O.C24H27FNSi.Ir/c1-25-22-30(28-14-7-4-8-15-28)23-26(2)37(25)41-35-19-10-9-18-34(35)40-39(41)32-17-11-16-31-33-24-29(27-12-5-3-6-13-27)20-21-36(33)42-38(31)32;1-17(2)13-20-15-23(26-16-24(20)27(3,4)5)19-11-12-22(25)21(14-19)18-9-7-6-8-10-18;/h3-16,18-24H,1-2H3;6-10,12,14-17H,13H2,1-5H3;/q2*-1;
InChIKeyKMILCWCDKNDDCQ-UHFFFAOYSA-N
XLogP16.44
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001108.45
LogP ≤ 516.44
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-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
CID 167331851
2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane
CID 156659737
1-[2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156657888
[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;1-(4-tert-butyl-2,6-diphenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium
CID 156657753
2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethyl-4-phenylphenyl)benzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 156657132
[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-phenylnaphthalen-1-yl)benzimidazole;iridium
CID 156657359
1-(2,6-dimethylphenyl)-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 167332806
[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;1-(2-tert-butyl-6-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium
CID 156660089
2-(7-tert-butyl-3H-dibenzofuran-3-id-4-yl)-1-(4-tert-butyl-2-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane
CID 156657113
iridium;1-(4-phenylphenyl)-2-[8-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156660197
6-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156670535
8-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-2-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 176643940

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-4-phenylphenyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium?
The IUPAC name of 1-(2,6-dimethyl-4-phenylphenyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium (CID 156657733) is 1-(2,6-dimethyl-4-phenylphenyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium.
What is the SMILES notation for 1-(2,6-dimethyl-4-phenylphenyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium?
The canonical SMILES for 1-(2,6-dimethyl-4-phenylphenyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium is CC(C)Cc1cc(-c2[c-]cc(F)c(-c3ccccc3)c2)ncc1[Si](C)(C)C.Cc1cc(-c2ccccc2)cc(C)c1-n1c(-c2[c-]ccc3c2oc2ccc(-c4ccccc4)cc23)nc2ccccc21.[Ir].
What is the InChIKey of 1-(2,6-dimethyl-4-phenylphenyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium?
The InChIKey is KMILCWCDKNDDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N2O.C24H27FNSi.Ir/c1-25-22-30(28-14-7-4-8-15-28)23-26(2)37(25)41-35-19-10-9-18-34(35)40-39(41)32-17-11-16-31-33-24-29(27-12-5-3-6-13-27)20-21-36(33)42-38(31)32;1-17(2)13-20-15-23(26-16-24(20)27(3,4)5)19-11-12-22(25)21(14-19)18-9-7-6-8-10-18;/h3-16,18-24H,1-2H3;6-10,12,14-17H,13H2,1-5H3;/q2*-1;.
What are the key properties of 1-(2,6-dimethyl-4-phenylphenyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium?
1-(2,6-dimethyl-4-phenylphenyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 1108.45 g/mol, XLogP of 16.44, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-4-phenylphenyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 156657733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).