2-(3H-dibenzofuran-3-id-4-yl)-1-dibenzothiophen-2-ylbenzimidazole;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane

C50H43IrN3OSSi-2 — CID 156657160

IUPAC2-(3H-dibenzofuran-3-id-4-yl)-1-dibenzothiophen-2-ylbenzimidazole;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane
SMILESCc1c[c-]c(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)cc1.[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C31H17N2OS.C19H26NSi.Ir/c1-5-14-27-20(8-1)22-10-7-11-23(30(22)34-27)31-32-25-12-3-4-13-26(25)33(31)19-16-17-29-24(18-19)21-9-2-6-15-28(21)35-29;1-14(2)11-17-12-18(16-9-7-15(3)8-10-16)20-13-19(17)21(4,5)6;/h1-10,12-18H;7-9,12-14H,11H2,1-6H3;/q2*-1;
InChIKeyDLNVWDIXIBPYTN-UHFFFAOYSA-N
MW954.28 g/mol
LogP13.36
Rot. Bonds6

About 2-(3H-dibenzofuran-3-id-4-yl)-1-dibenzothiophen-2-ylbenzimidazole;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane

2-(3H-dibenzofuran-3-id-4-yl)-1-dibenzothiophen-2-ylbenzimidazole;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane (PubChem CID 156657160) has the molecular formula C50H43IrN3OSSi-2 and a molecular weight of 954.28 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-1-dibenzothiophen-2-ylbenzimidazole;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane.

Molecular Properties

Compound Name2-(3H-dibenzofuran-3-id-4-yl)-1-dibenzothiophen-2-ylbenzimidazole;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane
PubChem CID156657160
Molecular FormulaC50H43IrN3OSSi-2
Molecular Weight954.28 g/mol
Exact Mass954.25
IUPAC Name2-(3H-dibenzofuran-3-id-4-yl)-1-dibenzothiophen-2-ylbenzimidazole;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane
SMILESCc1c[c-]c(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)cc1.[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C31H17N2OS.C19H26NSi.Ir/c1-5-14-27-20(8-1)22-10-7-11-23(30(22)34-27)31-32-25-12-3-4-13-26(25)33(31)19-16-17-29-24(18-19)21-9-2-6-15-28(21)35-29;1-14(2)11-17-12-18(16-9-7-15(3)8-10-16)20-13-19(17)21(4,5)6;/h1-10,12-18H;7-9,12-14H,11H2,1-6H3;/q2*-1;
InChIKeyDLNVWDIXIBPYTN-UHFFFAOYSA-N
XLogP13.36
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500954.28
LogP ≤ 513.36
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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Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-1-dibenzothiophen-2-ylbenzimidazole;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane?
The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-1-dibenzothiophen-2-ylbenzimidazole;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane (CID 156657160) is 2-(3H-dibenzofuran-3-id-4-yl)-1-dibenzothiophen-2-ylbenzimidazole;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane.
What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-1-dibenzothiophen-2-ylbenzimidazole;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane?
The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-1-dibenzothiophen-2-ylbenzimidazole;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane is Cc1c[c-]c(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)cc1.[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccc2sc3ccccc3c2c1.
What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-1-dibenzothiophen-2-ylbenzimidazole;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane?
The InChIKey is DLNVWDIXIBPYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H17N2OS.C19H26NSi.Ir/c1-5-14-27-20(8-1)22-10-7-11-23(30(22)34-27)31-32-25-12-3-4-13-26(25)33(31)19-16-17-29-24(18-19)21-9-2-6-15-28(21)35-29;1-14(2)11-17-12-18(16-9-7-15(3)8-10-16)20-13-19(17)21(4,5)6;/h1-10,12-18H;7-9,12-14H,11H2,1-6H3;/q2*-1;.
What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-1-dibenzothiophen-2-ylbenzimidazole;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane?
2-(3H-dibenzofuran-3-id-4-yl)-1-dibenzothiophen-2-ylbenzimidazole;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane has a molecular weight of 954.28 g/mol, XLogP of 13.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-dibenzofuran-3-id-4-yl)-1-dibenzothiophen-2-ylbenzimidazole;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane is sourced from PubChem (CID 156657160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).