bis(1,5-bis(2,6-dimethylphenyl)-2-phenylimidazole);2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;2-fluoro-6-methyl-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile;12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);4-methanidylpent-3-en-2-one;3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-phenyl-1,5-bis(2,4,6-trimethylphenyl)imidazole

C137H115F3Ir5N14O-8 — CID 160744352

IUPACbis(1,5-bis(2,6-dimethylphenyl)-2-phenylimidazole);2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;2-fluoro-6-methyl-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile;12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);4-methanidylpent-3-en-2-one;3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-phenyl-1,5-bis(2,4,6-trimethylphenyl)imidazole
SMILESCc1c[c-]c(-c2ccccn2)c(F)c1C#N.Cc1cc(C)c(-c2cnc(-c3[c-]cccc3)n2-c2c(C)cc(C)cc2C)c(C)c1.Cc1cccc(C)c1-c1cnc(-c2[c-]cccc2)n1-c1c(C)cccc1C.Cc1cccc(C)c1-c1cnc(-c2[c-]cccc2)n1-c1c(C)cccc1C.Cc1cnc2c3[c-]cccc3c3ccccc3n12.Fc1c[c-]c(-c2ccccn2)c(F)n1.[CH2-]C(C)=CC(C)=O.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cccc2c1c1nccn1c1ccccc21
InChIInChI=1S/C27H27N2.2C25H23N2.C16H11N2.C15H9N2.C13H8FN2.C10H5F2N2.C6H9O.5Ir/c1-17-12-19(3)25(20(4)13-17)24-16-28-27(23-10-8-7-9-11-23)29(24)26-21(5)14-18(2)15-22(26)6;2*1-17-10-8-11-18(2)23(17)22-16-26-25(21-14-6-5-7-15-21)27(22)24-19(3)12-9-13-20(24)4;1-11-10-17-16-14-8-3-2-6-12(14)13-7-4-5-9-15(13)18(11)16;1-2-7-13-11(5-1)12-6-3-4-8-14(12)17-10-9-16-15(13)17;1-9-5-6-10(13(14)11(9)8-15)12-4-2-3-7-16-12;11-9-5-4-7(10(12)14-9)8-3-1-2-6-13-8;1-5(2)4-6(3)7;;;;;/h7-10,12-16H,1-6H3;2*5-14,16H,1-4H3;2-7,9-10H,1H3;1-6,8-10H;2-5,7H,1H3;1-3,5-6H;4H,1H2,2-3H3;;;;;/q8*-1;;;;;
InChIKeyJYZYEEKADFIQKW-UHFFFAOYSA-N
MW2991.60 g/mol
LogP32.96
Rot. Bonds12

About bis(1,5-bis(2,6-dimethylphenyl)-2-phenylimidazole);2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;2-fluoro-6-methyl-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile;12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);4-methanidylpent-3-en-2-one;3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-phenyl-1,5-bis(2,4,6-trimethylphenyl)imidazole

bis(1,5-bis(2,6-dimethylphenyl)-2-phenylimidazole);2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;2-fluoro-6-methyl-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile;12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);4-methanidylpent-3-en-2-one;3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-phenyl-1,5-bis(2,4,6-trimethylphenyl)imidazole (PubChem CID 160744352) has the molecular formula C137H115F3Ir5N14O-8 and a molecular weight of 2991.60 g/mol. Its IUPAC name is bis(1,5-bis(2,6-dimethylphenyl)-2-phenylimidazole);2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;2-fluoro-6-methyl-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile;12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);4-methanidylpent-3-en-2-one;3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-phenyl-1,5-bis(2,4,6-trimethylphenyl)imidazole.

Molecular Properties

Compound Namebis(1,5-bis(2,6-dimethylphenyl)-2-phenylimidazole);2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;2-fluoro-6-methyl-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile;12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);4-methanidylpent-3-en-2-one;3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-phenyl-1,5-bis(2,4,6-trimethylphenyl)imidazole
PubChem CID160744352
Molecular FormulaC137H115F3Ir5N14O-8
Molecular Weight2991.60 g/mol
Exact Mass2993.75
IUPAC Namebis(1,5-bis(2,6-dimethylphenyl)-2-phenylimidazole);2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;2-fluoro-6-methyl-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile;12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);4-methanidylpent-3-en-2-one;3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-phenyl-1,5-bis(2,4,6-trimethylphenyl)imidazole
SMILESCc1c[c-]c(-c2ccccn2)c(F)c1C#N.Cc1cc(C)c(-c2cnc(-c3[c-]cccc3)n2-c2c(C)cc(C)cc2C)c(C)c1.Cc1cccc(C)c1-c1cnc(-c2[c-]cccc2)n1-c1c(C)cccc1C.Cc1cccc(C)c1-c1cnc(-c2[c-]cccc2)n1-c1c(C)cccc1C.Cc1cnc2c3[c-]cccc3c3ccccc3n12.Fc1c[c-]c(-c2ccccn2)c(F)n1.[CH2-]C(C)=CC(C)=O.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cccc2c1c1nccn1c1ccccc21
InChIInChI=1S/C27H27N2.2C25H23N2.C16H11N2.C15H9N2.C13H8FN2.C10H5F2N2.C6H9O.5Ir/c1-17-12-19(3)25(20(4)13-17)24-16-28-27(23-10-8-7-9-11-23)29(24)26-21(5)14-18(2)15-22(26)6;2*1-17-10-8-11-18(2)23(17)22-16-26-25(21-14-6-5-7-15-21)27(22)24-19(3)12-9-13-20(24)4;1-11-10-17-16-14-8-3-2-6-12(14)13-7-4-5-9-15(13)18(11)16;1-2-7-13-11(5-1)12-6-3-4-8-14(12)17-10-9-16-15(13)17;1-9-5-6-10(13(14)11(9)8-15)12-4-2-3-7-16-12;11-9-5-4-7(10(12)14-9)8-3-1-2-6-13-8;1-5(2)4-6(3)7;;;;;/h7-10,12-16H,1-6H3;2*5-14,16H,1-4H3;2-7,9-10H,1H3;1-6,8-10H;2-5,7H,1H3;1-3,5-6H;4H,1H2,2-3H3;;;;;/q8*-1;;;;;
InChIKeyJYZYEEKADFIQKW-UHFFFAOYSA-N
XLogP32.96
TPSA167.59 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002991.60
LogP ≤ 532.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze bis(1,5-bis(2,6-dimethylphenyl)-2-phenylimidazole);2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;2-fluoro-6-methyl-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile;12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);4-methanidylpent-3-en-2-one;3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-phenyl-1,5-bis(2,4,6-trimethylphenyl)imidazole with MolForge

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Related Compounds

2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;3-(2,6-diphenylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 58162931
CID 157124313
CID 157124313
3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;bis(4-hydroxypent-3-en-2-one);tris(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;3-methyl-2-phenylquinoline
CID 157361435
iridium;(E)-4-methanidylpent-3-en-2-one;2-phenylpyridine
CID 59357334
7,10-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-methyl-5-(4-methylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 158846855
(Z)-4-hydroxypent-3-en-2-one;iridium;5-methyl-9-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 59358822
N,N-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-7-amine;2-ethoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;12H-imidazo[1,2-f]phenanthridin-12-ide-10-carbonitrile;pentakis(iridium);3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-methylsulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 159110677
iridium;7-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 58943914
CID 157368021
CID 157368021
7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-diphenylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-diphenylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium)
CID 160958358
2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;bis(iridium)
CID 159075536
7-(2,6-dimethylphenyl)-10-methyl-9-pyridin-2-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 59359096

Frequently Asked Questions

What is the IUPAC name of bis(1,5-bis(2,6-dimethylphenyl)-2-phenylimidazole);2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;2-fluoro-6-methyl-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile;12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);4-methanidylpent-3-en-2-one;3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-phenyl-1,5-bis(2,4,6-trimethylphenyl)imidazole?
The IUPAC name of bis(1,5-bis(2,6-dimethylphenyl)-2-phenylimidazole);2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;2-fluoro-6-methyl-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile;12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);4-methanidylpent-3-en-2-one;3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-phenyl-1,5-bis(2,4,6-trimethylphenyl)imidazole (CID 160744352) is bis(1,5-bis(2,6-dimethylphenyl)-2-phenylimidazole);2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;2-fluoro-6-methyl-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile;12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);4-methanidylpent-3-en-2-one;3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-phenyl-1,5-bis(2,4,6-trimethylphenyl)imidazole.
What is the SMILES notation for bis(1,5-bis(2,6-dimethylphenyl)-2-phenylimidazole);2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;2-fluoro-6-methyl-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile;12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);4-methanidylpent-3-en-2-one;3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-phenyl-1,5-bis(2,4,6-trimethylphenyl)imidazole?
The canonical SMILES for bis(1,5-bis(2,6-dimethylphenyl)-2-phenylimidazole);2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;2-fluoro-6-methyl-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile;12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);4-methanidylpent-3-en-2-one;3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-phenyl-1,5-bis(2,4,6-trimethylphenyl)imidazole is Cc1c[c-]c(-c2ccccn2)c(F)c1C#N.Cc1cc(C)c(-c2cnc(-c3[c-]cccc3)n2-c2c(C)cc(C)cc2C)c(C)c1.Cc1cccc(C)c1-c1cnc(-c2[c-]cccc2)n1-c1c(C)cccc1C.Cc1cccc(C)c1-c1cnc(-c2[c-]cccc2)n1-c1c(C)cccc1C.Cc1cnc2c3[c-]cccc3c3ccccc3n12.Fc1c[c-]c(-c2ccccn2)c(F)n1.[CH2-]C(C)=CC(C)=O.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cccc2c1c1nccn1c1ccccc21.
What is the InChIKey of bis(1,5-bis(2,6-dimethylphenyl)-2-phenylimidazole);2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;2-fluoro-6-methyl-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile;12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);4-methanidylpent-3-en-2-one;3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-phenyl-1,5-bis(2,4,6-trimethylphenyl)imidazole?
The InChIKey is JYZYEEKADFIQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N2.2C25H23N2.C16H11N2.C15H9N2.C13H8FN2.C10H5F2N2.C6H9O.5Ir/c1-17-12-19(3)25(20(4)13-17)24-16-28-27(23-10-8-7-9-11-23)29(24)26-21(5)14-18(2)15-22(26)6;2*1-17-10-8-11-18(2)23(17)22-16-26-25(21-14-6-5-7-15-21)27(22)24-19(3)12-9-13-20(24)4;1-11-10-17-16-14-8-3-2-6-12(14)13-7-4-5-9-15(13)18(11)16;1-2-7-13-11(5-1)12-6-3-4-8-14(12)17-10-9-16-15(13)17;1-9-5-6-10(13(14)11(9)8-15)12-4-2-3-7-16-12;11-9-5-4-7(10(12)14-9)8-3-1-2-6-13-8;1-5(2)4-6(3)7;;;;;/h7-10,12-16H,1-6H3;2*5-14,16H,1-4H3;2-7,9-10H,1H3;1-6,8-10H;2-5,7H,1H3;1-3,5-6H;4H,1H2,2-3H3;;;;;/q8*-1;;;;;.
What are the key properties of bis(1,5-bis(2,6-dimethylphenyl)-2-phenylimidazole);2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;2-fluoro-6-methyl-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile;12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);4-methanidylpent-3-en-2-one;3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-phenyl-1,5-bis(2,4,6-trimethylphenyl)imidazole?
bis(1,5-bis(2,6-dimethylphenyl)-2-phenylimidazole);2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;2-fluoro-6-methyl-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile;12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);4-methanidylpent-3-en-2-one;3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-phenyl-1,5-bis(2,4,6-trimethylphenyl)imidazole has a molecular weight of 2991.60 g/mol, XLogP of 32.96, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,5-bis(2,6-dimethylphenyl)-2-phenylimidazole);2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;2-fluoro-6-methyl-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile;12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);4-methanidylpent-3-en-2-one;3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-phenyl-1,5-bis(2,4,6-trimethylphenyl)imidazole is sourced from PubChem (CID 160744352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).