2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethyl-4-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane)

C208H196Ir4N12O4Si4-8 — CID 163674859

IUPAC2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethyl-4-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane)
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.Cc1c[c-]c(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)cc1.Cc1c[c-]c(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)cc1.Cc1c[c-]c(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)cc1.Cc1c[c-]c(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)cc1.Cc1cc(-c2ccccc2)cc(C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1cccc(-c2ccccc2)c1.[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccccc1-c1ccccc1
InChIInChI=1S/C37H31N2O.C33H23N2O.2C31H19N2O.4C19H26NSi.4Ir/c1-23(2)30-21-26(25-13-6-5-7-14-25)22-31(24(3)4)35(30)39-33-19-10-9-18-32(33)38-37(39)29-17-12-16-28-27-15-8-11-20-34(27)40-36(28)29;1-21-19-24(23-11-4-3-5-12-23)20-22(2)31(21)35-29-17-8-7-16-28(29)34-33(35)27-15-10-14-26-25-13-6-9-18-30(25)36-32(26)27;1-2-11-21(12-3-1)22-13-4-7-18-27(22)33-28-19-8-6-17-26(28)32-31(33)25-16-10-15-24-23-14-5-9-20-29(23)34-30(24)25;1-2-10-21(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;4*1-14(2)11-17-12-18(16-9-7-15(3)8-10-16)20-13-19(17)21(4,5)6;;;;/h5-16,18-24H,1-4H3;3-14,16-20H,1-2H3;2*1-15,17-20H;4*7-9,12-14H,11H2,1-6H3;;;;/q8*-1;;;;
InChIKeySHSFVQTWKXYABA-UHFFFAOYSA-N
MW3809.15 g/mol
LogP53.49
Rot. Bonds30

About 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethyl-4-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane)

2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethyl-4-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane) (PubChem CID 163674859) has the molecular formula C208H196Ir4N12O4Si4-8 and a molecular weight of 3809.15 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethyl-4-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;tetrakis(iridium);tetrakis(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-(2,6-dimethyl-4-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane)
PubChem CID163674859
Molecular FormulaC208H196Ir4N12O4Si4-8
Molecular Weight3809.15 g/mol
Exact Mass3809.31
IUPAC Name2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethyl-4-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane)
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.Cc1c[c-]c(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)cc1.Cc1c[c-]c(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)cc1.Cc1c[c-]c(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)cc1.Cc1c[c-]c(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)cc1.Cc1cc(-c2ccccc2)cc(C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1cccc(-c2ccccc2)c1.[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccccc1-c1ccccc1
InChIInChI=1S/C37H31N2O.C33H23N2O.2C31H19N2O.4C19H26NSi.4Ir/c1-23(2)30-21-26(25-13-6-5-7-14-25)22-31(24(3)4)35(30)39-33-19-10-9-18-32(33)38-37(39)29-17-12-16-28-27-15-8-11-20-34(27)40-36(28)29;1-21-19-24(23-11-4-3-5-12-23)20-22(2)31(21)35-29-17-8-7-16-28(29)34-33(35)27-15-10-14-26-25-13-6-9-18-30(25)36-32(26)27;1-2-11-21(12-3-1)22-13-4-7-18-27(22)33-28-19-8-6-17-26(28)32-31(33)25-16-10-15-24-23-14-5-9-20-29(23)34-30(24)25;1-2-10-21(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;4*1-14(2)11-17-12-18(16-9-7-15(3)8-10-16)20-13-19(17)21(4,5)6;;;;/h5-16,18-24H,1-4H3;3-14,16-20H,1-2H3;2*1-15,17-20H;4*7-9,12-14H,11H2,1-6H3;;;;/q8*-1;;;;
InChIKeySHSFVQTWKXYABA-UHFFFAOYSA-N
XLogP53.49
TPSA175.40 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds30
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003809.15
LogP ≤ 553.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethyl-4-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethyl-4-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;tetrakis(iridium);tetrakis(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-(2,6-dimethyl-4-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane) (CID 163674859) is 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethyl-4-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;tetrakis(iridium);tetrakis(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-(2,6-dimethyl-4-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;tetrakis(iridium);tetrakis(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-(2,6-dimethyl-4-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane) is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.Cc1c[c-]c(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)cc1.Cc1c[c-]c(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)cc1.Cc1c[c-]c(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)cc1.Cc1c[c-]c(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)cc1.Cc1cc(-c2ccccc2)cc(C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1cccc(-c2ccccc2)c1.[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccccc1-c1ccccc1.
What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethyl-4-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane)?
The InChIKey is SHSFVQTWKXYABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31N2O.C33H23N2O.2C31H19N2O.4C19H26NSi.4Ir/c1-23(2)30-21-26(25-13-6-5-7-14-25)22-31(24(3)4)35(30)39-33-19-10-9-18-32(33)38-37(39)29-17-12-16-28-27-15-8-11-20-34(27)40-36(28)29;1-21-19-24(23-11-4-3-5-12-23)20-22(2)31(21)35-29-17-8-7-16-28(29)34-33(35)27-15-10-14-26-25-13-6-9-18-30(25)36-32(26)27;1-2-11-21(12-3-1)22-13-4-7-18-27(22)33-28-19-8-6-17-26(28)32-31(33)25-16-10-15-24-23-14-5-9-20-29(23)34-30(24)25;1-2-10-21(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;4*1-14(2)11-17-12-18(16-9-7-15(3)8-10-16)20-13-19(17)21(4,5)6;;;;/h5-16,18-24H,1-4H3;3-14,16-20H,1-2H3;2*1-15,17-20H;4*7-9,12-14H,11H2,1-6H3;;;;/q8*-1;;;;.
What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethyl-4-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane)?
2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethyl-4-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane) has a molecular weight of 3809.15 g/mol, XLogP of 53.49, 30 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethyl-4-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-phenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(3-phenylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane) is sourced from PubChem (CID 163674859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).