1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-2-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;pentakis(iridium);pentakis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane)

C224H185Ir5N15O5Si5-10 — CID 163664889

IUPAC1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-2-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;pentakis(iridium);pentakis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane)
SMILESCC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3ccccc34)nc3ccccc32)cc1.Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccc(-c2ccccc2)cc1.[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccc2ccccc2c1.[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1cccc(-c2ccccc2)c1.[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1cccc2ccccc12
InChIInChI=1S/2C31H19N2O.2C29H17N2O.C29H23N2O.5C15H18NSi.5Ir/c1-2-10-21(11-3-1)22-12-8-13-23(20-22)33-28-18-6-5-17-27(28)32-31(33)26-16-9-15-25-24-14-4-7-19-29(24)34-30(25)26;1-2-9-21(10-3-1)22-17-19-23(20-18-22)33-28-15-6-5-14-27(28)32-31(33)26-13-8-12-25-24-11-4-7-16-29(24)34-30(25)26;1-2-11-20-19(9-1)10-7-17-25(20)31-26-16-5-4-15-24(26)30-29(31)23-14-8-13-22-21-12-3-6-18-27(21)32-28(22)23;1-2-9-20-18-21(17-16-19(20)8-1)31-26-14-5-4-13-25(26)30-29(31)24-12-7-11-23-22-10-3-6-15-27(22)32-28(23)24;1-29(2,3)19-15-17-20(18-16-19)31-25-13-6-5-12-24(25)30-28(31)23-11-8-10-22-21-9-4-7-14-26(21)32-27(22)23;5*1-12-10-14(13-8-6-5-7-9-13)16-11-15(12)17(2,3)4;;;;;/h1-15,17-20H;1-12,14-20H;1-13,15-18H;1-11,13-18H;4-10,12-18H,1-3H3;5*5-8,10-11H,1-4H3;;;;;/q10*-1;;;;;
InChIKeyYXUMPLPKXODNLE-UHFFFAOYSA-N
MW4268.56 g/mol
LogP55.90
Rot. Bonds22

About 1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-2-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;pentakis(iridium);pentakis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane)

1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-2-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;pentakis(iridium);pentakis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane) (PubChem CID 163664889) has the molecular formula C224H185Ir5N15O5Si5-10 and a molecular weight of 4268.56 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-2-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;pentakis(iridium);pentakis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane).

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-2-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;pentakis(iridium);pentakis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane)
PubChem CID163664889
Molecular FormulaC224H185Ir5N15O5Si5-10
Molecular Weight4268.56 g/mol
Exact Mass4269.17
IUPAC Name1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-2-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;pentakis(iridium);pentakis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane)
SMILESCC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3ccccc34)nc3ccccc32)cc1.Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccc(-c2ccccc2)cc1.[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccc2ccccc2c1.[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1cccc(-c2ccccc2)c1.[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1cccc2ccccc12
InChIInChI=1S/2C31H19N2O.2C29H17N2O.C29H23N2O.5C15H18NSi.5Ir/c1-2-10-21(11-3-1)22-12-8-13-23(20-22)33-28-18-6-5-17-27(28)32-31(33)26-16-9-15-25-24-14-4-7-19-29(24)34-30(25)26;1-2-9-21(10-3-1)22-17-19-23(20-18-22)33-28-15-6-5-14-27(28)32-31(33)26-13-8-12-25-24-11-4-7-16-29(24)34-30(25)26;1-2-11-20-19(9-1)10-7-17-25(20)31-26-16-5-4-15-24(26)30-29(31)23-14-8-13-22-21-12-3-6-18-27(21)32-28(22)23;1-2-9-20-18-21(17-16-19(20)8-1)31-26-14-5-4-13-25(26)30-29(31)24-12-7-11-23-22-10-3-6-15-27(22)32-28(23)24;1-29(2,3)19-15-17-20(18-16-19)31-25-13-6-5-12-24(25)30-28(31)23-11-8-10-22-21-9-4-7-14-26(21)32-27(22)23;5*1-12-10-14(13-8-6-5-7-9-13)16-11-15(12)17(2,3)4;;;;;/h1-15,17-20H;1-12,14-20H;1-13,15-18H;1-11,13-18H;4-10,12-18H,1-3H3;5*5-8,10-11H,1-4H3;;;;;/q10*-1;;;;;
InChIKeyYXUMPLPKXODNLE-UHFFFAOYSA-N
XLogP55.90
TPSA219.25 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds22
Heavy Atoms254
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004268.56
LogP ≤ 555.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-2-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;pentakis(iridium);pentakis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-2-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;pentakis(iridium);pentakis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane)?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-2-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;pentakis(iridium);pentakis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane) (CID 163664889) is 1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-2-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;pentakis(iridium);pentakis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane).
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-2-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;pentakis(iridium);pentakis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane)?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-2-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;pentakis(iridium);pentakis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane) is CC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3ccccc34)nc3ccccc32)cc1.Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccc(-c2ccccc2)cc1.[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccc2ccccc2c1.[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1cccc(-c2ccccc2)c1.[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1cccc2ccccc12.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-2-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;pentakis(iridium);pentakis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane)?
The InChIKey is YXUMPLPKXODNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H19N2O.2C29H17N2O.C29H23N2O.5C15H18NSi.5Ir/c1-2-10-21(11-3-1)22-12-8-13-23(20-22)33-28-18-6-5-17-27(28)32-31(33)26-16-9-15-25-24-14-4-7-19-29(24)34-30(25)26;1-2-9-21(10-3-1)22-17-19-23(20-18-22)33-28-15-6-5-14-27(28)32-31(33)26-13-8-12-25-24-11-4-7-16-29(24)34-30(25)26;1-2-11-20-19(9-1)10-7-17-25(20)31-26-16-5-4-15-24(26)30-29(31)23-14-8-13-22-21-12-3-6-18-27(21)32-28(22)23;1-2-9-20-18-21(17-16-19(20)8-1)31-26-14-5-4-13-25(26)30-29(31)24-12-7-11-23-22-10-3-6-15-27(22)32-28(23)24;1-29(2,3)19-15-17-20(18-16-19)31-25-13-6-5-12-24(25)30-28(31)23-11-8-10-22-21-9-4-7-14-26(21)32-27(22)23;5*1-12-10-14(13-8-6-5-7-9-13)16-11-15(12)17(2,3)4;;;;;/h1-15,17-20H;1-12,14-20H;1-13,15-18H;1-11,13-18H;4-10,12-18H,1-3H3;5*5-8,10-11H,1-4H3;;;;;/q10*-1;;;;;.
What are the key properties of 1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-2-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;pentakis(iridium);pentakis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane)?
1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-2-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;pentakis(iridium);pentakis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane) has a molecular weight of 4268.56 g/mol, XLogP of 55.90, 22 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-2-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;pentakis(iridium);pentakis(trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane) is sourced from PubChem (CID 163664889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).