2-(1,7-difluoro-3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;2-(1-fluoro-7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane)

C171H147F7Ir4N12O4Si4-8 — CID 159726247

IUPAC2-(1,7-difluoro-3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;2-(1-fluoro-7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane)
SMILESCC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(C(F)(F)F)ccc23)nc2ccccc21.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cc(C)c(-n2c(-c3[c-]cc(F)c4c3oc3cc(C(C)C)ccc34)nc3ccccc32)c(C)c1.Cc1cccc(C)c1-n1c(-c2[c-]cc(F)c3c2oc2cc(F)ccc23)nc2ccccc21.Fc1cccc2c1oc1c(-c3nc4ccccc4n3-c3ccccc3)[c-]ccc12.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C32H26F3N2O.C31H26FN2O.C27H17F2N2O.C25H14FN2O.4C14H16NSi.4Ir/c1-18(2)21-9-7-10-22(19(3)4)29(21)37-27-14-6-5-13-26(27)36-31(37)25-12-8-11-24-23-16-15-20(32(33,34)35)17-28(23)38-30(24)25;1-17(2)21-10-11-22-27(16-21)35-30-23(12-13-24(32)28(22)30)31-33-25-8-6-7-9-26(25)34(31)29-19(4)14-18(3)15-20(29)5;1-15-6-5-7-16(2)25(15)31-22-9-4-3-8-21(22)30-27(31)19-12-13-20(29)24-18-11-10-17(28)14-23(18)32-26(19)24;26-20-13-7-11-18-17-10-6-12-19(23(17)29-24(18)20)25-27-21-14-4-5-15-22(21)28(25)16-8-2-1-3-9-16;4*1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;;/h5-11,13-19H,1-4H3;6-11,13-17H,1-5H3;3-11,13-14H,1-2H3;1-11,13-15H;4*4-7,9-11H,1-3H3;;;;/q8*-1;;;;
InChIKeyNDXSMSOBPULRLN-UHFFFAOYSA-N
MW3448.33 g/mol
LogP44.42
Rot. Bonds19

About 2-(1,7-difluoro-3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;2-(1-fluoro-7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane)

2-(1,7-difluoro-3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;2-(1-fluoro-7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane) (PubChem CID 159726247) has the molecular formula C171H147F7Ir4N12O4Si4-8 and a molecular weight of 3448.33 g/mol. Its IUPAC name is 2-(1,7-difluoro-3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;2-(1-fluoro-7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane).

Molecular Properties

Compound Name2-(1,7-difluoro-3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;2-(1-fluoro-7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane)
PubChem CID159726247
Molecular FormulaC171H147F7Ir4N12O4Si4-8
Molecular Weight3448.33 g/mol
Exact Mass3448.92
IUPAC Name2-(1,7-difluoro-3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;2-(1-fluoro-7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane)
SMILESCC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(C(F)(F)F)ccc23)nc2ccccc21.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cc(C)c(-n2c(-c3[c-]cc(F)c4c3oc3cc(C(C)C)ccc34)nc3ccccc32)c(C)c1.Cc1cccc(C)c1-n1c(-c2[c-]cc(F)c3c2oc2cc(F)ccc23)nc2ccccc21.Fc1cccc2c1oc1c(-c3nc4ccccc4n3-c3ccccc3)[c-]ccc12.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C32H26F3N2O.C31H26FN2O.C27H17F2N2O.C25H14FN2O.4C14H16NSi.4Ir/c1-18(2)21-9-7-10-22(19(3)4)29(21)37-27-14-6-5-13-26(27)36-31(37)25-12-8-11-24-23-16-15-20(32(33,34)35)17-28(23)38-30(24)25;1-17(2)21-10-11-22-27(16-21)35-30-23(12-13-24(32)28(22)30)31-33-25-8-6-7-9-26(25)34(31)29-19(4)14-18(3)15-20(29)5;1-15-6-5-7-16(2)25(15)31-22-9-4-3-8-21(22)30-27(31)19-12-13-20(29)24-18-11-10-17(28)14-23(18)32-26(19)24;26-20-13-7-11-18-17-10-6-12-19(23(17)29-24(18)20)25-27-21-14-4-5-15-22(21)28(25)16-8-2-1-3-9-16;4*1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;;/h5-11,13-19H,1-4H3;6-11,13-17H,1-5H3;3-11,13-14H,1-2H3;1-11,13-15H;4*4-7,9-11H,1-3H3;;;;/q8*-1;;;;
InChIKeyNDXSMSOBPULRLN-UHFFFAOYSA-N
XLogP44.42
TPSA175.40 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms202
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003448.33
LogP ≤ 544.42
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-(1,7-difluoro-3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;2-(1-fluoro-7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane) with MolForge

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Related Compounds

iridium;1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156658298
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium
CID 156658655
1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156658793
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium
CID 156659082
1-[2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156659744
1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156660200
[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-[1-[2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 156669437
6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156672241
2-(3-tert-butylpyrazol-1-id-5-yl)-1-methylpyridin-1-ium;tetrakis(2-(3H-dibenzofuran-3-id-4-yl)quinoline);tetrakis(iridium);1-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridin-1-ium;1-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridin-1-ium;1-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-1-ium
CID 157083711
pentakis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylquinoline);2-(3H-dibenzofuran-3-id-4-yl)quinoline;tris(iridium(3+));bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 157104085
3-(3H-dibenzofuran-3-id-2-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-2-ide;1,7-diphenyl-3-phenyl-5-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;trimethyl-(1-phenyl-3-phenyl-7-pyridin-3-yl-2H-imidazo[4,5-b]pyridin-2-id-5-yl)silane
CID 157133461
bis(iridium);methanol;3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-c]pyridine;3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine;trifluoromethanesulfonic acid;bis(trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane)
CID 157296243

Frequently Asked Questions

What is the IUPAC name of 2-(1,7-difluoro-3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;2-(1-fluoro-7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane)?
The IUPAC name of 2-(1,7-difluoro-3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;2-(1-fluoro-7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane) (CID 159726247) is 2-(1,7-difluoro-3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;2-(1-fluoro-7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane).
What is the SMILES notation for 2-(1,7-difluoro-3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;2-(1-fluoro-7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane)?
The canonical SMILES for 2-(1,7-difluoro-3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;2-(1-fluoro-7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane) is CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(C(F)(F)F)ccc23)nc2ccccc21.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cc(C)c(-n2c(-c3[c-]cc(F)c4c3oc3cc(C(C)C)ccc34)nc3ccccc32)c(C)c1.Cc1cccc(C)c1-n1c(-c2[c-]cc(F)c3c2oc2cc(F)ccc23)nc2ccccc21.Fc1cccc2c1oc1c(-c3nc4ccccc4n3-c3ccccc3)[c-]ccc12.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2-(1,7-difluoro-3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;2-(1-fluoro-7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane)?
The InChIKey is NDXSMSOBPULRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F3N2O.C31H26FN2O.C27H17F2N2O.C25H14FN2O.4C14H16NSi.4Ir/c1-18(2)21-9-7-10-22(19(3)4)29(21)37-27-14-6-5-13-26(27)36-31(37)25-12-8-11-24-23-16-15-20(32(33,34)35)17-28(23)38-30(24)25;1-17(2)21-10-11-22-27(16-21)35-30-23(12-13-24(32)28(22)30)31-33-25-8-6-7-9-26(25)34(31)29-19(4)14-18(3)15-20(29)5;1-15-6-5-7-16(2)25(15)31-22-9-4-3-8-21(22)30-27(31)19-12-13-20(29)24-18-11-10-17(28)14-23(18)32-26(19)24;26-20-13-7-11-18-17-10-6-12-19(23(17)29-24(18)20)25-27-21-14-4-5-15-22(21)28(25)16-8-2-1-3-9-16;4*1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;;/h5-11,13-19H,1-4H3;6-11,13-17H,1-5H3;3-11,13-14H,1-2H3;1-11,13-15H;4*4-7,9-11H,1-3H3;;;;/q8*-1;;;;.
What are the key properties of 2-(1,7-difluoro-3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;2-(1-fluoro-7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane)?
2-(1,7-difluoro-3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;2-(1-fluoro-7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane) has a molecular weight of 3448.33 g/mol, XLogP of 44.42, 19 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,7-difluoro-3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;2-(1-fluoro-7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane) is sourced from PubChem (CID 159726247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).