tris(3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide);tetrakis(iridium(3+));7-methyl-2-(2-methylphenyl)-9-phenyl-8H-purin-8-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;7-methyl-9-phenyl-8H-purin-8-ide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole

C150H122Ir4N24 — CID 160882856

IUPACtris(3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide);tetrakis(iridium(3+));7-methyl-2-(2-methylphenyl)-9-phenyl-8H-purin-8-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;7-methyl-9-phenyl-8H-purin-8-ide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
SMILESCN1[CH-]N(c2[c-]cccc2)c2nccnc21.CN1[CH-]N(c2[c-]cccc2)c2ncncc21.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1ccc2c(c1)c1ccc[c-]c1c1ncc(-c3c(C)cccc3C)n21.Cc1ccc2c(c1)c1ccc[c-]c1c1ncc(-c3c(C)cccc3C)n21.Cc1ccc2c(c1)c1ccc[c-]c1c1ncc(-c3c(C)cccc3C)n21.Cc1ccccc1-c1ncc2c(n1)N(c1[c-]cccc1)[CH-]N2C.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1N1[CH-]N(c2ccccc2)c2nccnc21
InChIInChI=1S/3C24H19N2.C19H16N4.C18H17N2.C17H12N4.2C12H10N4.4Ir/c3*1-15-11-12-21-20(13-15)18-9-4-5-10-19(18)24-25-14-22(26(21)24)23-16(2)7-6-8-17(23)3;1-14-8-6-7-11-16(14)18-20-12-17-19(21-18)23(13-22(17)2)15-9-4-3-5-10-15;1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;1-3-7-14(8-4-1)20-13-21(15-9-5-2-6-10-15)17-16(20)18-11-12-19-17;1-15-9-16(10-5-3-2-4-6-10)12-11(15)7-13-8-14-12;1-15-9-16(10-5-3-2-4-6-10)12-11(15)13-7-8-14-12;;;;/h3*4-9,11-14H,1-3H3;3-9,11-13H,1-2H3;4-7,9-12H,1-3H3;1-9,11-13H;2*2-5,7-9H,1H3;;;;/q3*-1;-2;-1;3*-2;4*+3
InChIKeyZKQBKOCSXPRCNP-UHFFFAOYSA-N
MW3029.66 g/mol
LogP33.97
Rot. Bonds11

About tris(3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide);tetrakis(iridium(3+));7-methyl-2-(2-methylphenyl)-9-phenyl-8H-purin-8-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;7-methyl-9-phenyl-8H-purin-8-ide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole

tris(3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide);tetrakis(iridium(3+));7-methyl-2-(2-methylphenyl)-9-phenyl-8H-purin-8-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;7-methyl-9-phenyl-8H-purin-8-ide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole (PubChem CID 160882856) has the molecular formula C150H122Ir4N24 and a molecular weight of 3029.66 g/mol. Its IUPAC name is tris(3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide);tetrakis(iridium(3+));7-methyl-2-(2-methylphenyl)-9-phenyl-8H-purin-8-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;7-methyl-9-phenyl-8H-purin-8-ide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole.

Molecular Properties

Compound Nametris(3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide);tetrakis(iridium(3+));7-methyl-2-(2-methylphenyl)-9-phenyl-8H-purin-8-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;7-methyl-9-phenyl-8H-purin-8-ide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
PubChem CID160882856
Molecular FormulaC150H122Ir4N24
Molecular Weight3029.66 g/mol
Exact Mass3030.88
IUPAC Nametris(3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide);tetrakis(iridium(3+));7-methyl-2-(2-methylphenyl)-9-phenyl-8H-purin-8-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;7-methyl-9-phenyl-8H-purin-8-ide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
SMILESCN1[CH-]N(c2[c-]cccc2)c2nccnc21.CN1[CH-]N(c2[c-]cccc2)c2ncncc21.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1ccc2c(c1)c1ccc[c-]c1c1ncc(-c3c(C)cccc3C)n21.Cc1ccc2c(c1)c1ccc[c-]c1c1ncc(-c3c(C)cccc3C)n21.Cc1ccc2c(c1)c1ccc[c-]c1c1ncc(-c3c(C)cccc3C)n21.Cc1ccccc1-c1ncc2c(n1)N(c1[c-]cccc1)[CH-]N2C.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1N1[CH-]N(c2ccccc2)c2nccnc21
InChIInChI=1S/3C24H19N2.C19H16N4.C18H17N2.C17H12N4.2C12H10N4.4Ir/c3*1-15-11-12-21-20(13-15)18-9-4-5-10-19(18)24-25-14-22(26(21)24)23-16(2)7-6-8-17(23)3;1-14-8-6-7-11-16(14)18-20-12-17-19(21-18)23(13-22(17)2)15-9-4-3-5-10-15;1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;1-3-7-14(8-4-1)20-13-21(15-9-5-2-6-10-15)17-16(20)18-11-12-19-17;1-15-9-16(10-5-3-2-4-6-10)12-11(15)7-13-8-14-12;1-15-9-16(10-5-3-2-4-6-10)12-11(15)13-7-8-14-12;;;;/h3*4-9,11-14H,1-3H3;3-9,11-13H,1-2H3;4-7,9-12H,1-3H3;1-9,11-13H;2*2-5,7-9H,1H3;;;;/q3*-1;-2;-1;3*-2;4*+3
InChIKeyZKQBKOCSXPRCNP-UHFFFAOYSA-N
XLogP33.97
TPSA198.76 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds11
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003029.66
LogP ≤ 533.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze tris(3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide);tetrakis(iridium(3+));7-methyl-2-(2-methylphenyl)-9-phenyl-8H-purin-8-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;7-methyl-9-phenyl-8H-purin-8-ide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole with MolForge

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Related Compounds

5-[2,6-di(propan-2-yl)phenyl]-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;tetrakis(iridium);7-methyl-2-(2-methylphenyl)-9-phenyl-8H-purin-8-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;9-methyl-7-phenyl-8H-purin-8-ide;tris(1-phenyl-3-phenyl-2H-benzimidazol-2-ide);1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide
CID 158954439
tetrakis(1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide);tetrakis(iridium);7-methyl-2-(2-methylphenyl)-9-phenyl-8H-purin-8-ide;7-methyl-9-phenyl-8H-purin-8-ide;9-methyl-7-phenyl-8H-purin-8-ide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide
CID 159776777
CID 161176103
CID 161176103
6-(2,6-dimethylphenyl)-8-methanidyl-7-phenyl-9-phenyl-8H-purine;hexakis(iridium);9-methyl-2-(3-methyl-4-pyridinyl)-7-phenyl-8H-purin-8-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;tetrakis(1-methyl-3-phenyl-2H-imidazol-2-ide);7-methyl-9-phenyl-8H-purin-8-ide;9-methyl-7-phenyl-8H-purin-8-ide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide
CID 162006380
1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium(3+);9-methyl-7-phenyl-8H-purin-8-ide
CID 58556384
2-[2,6-di(propan-2-yl)phenyl]-7-methyl-9-phenyl-8H-purin-8-ide;pentakis(iridium);7-methyl-2-(2-methylphenyl)-9-phenyl-8H-purin-8-ide;7-phenyl-9-pyridin-3-yl-8H-purin-8-ide;7-phenyl-9-pyridin-4-yl-8H-purin-8-ide;7-phenyl-9-thiophen-2-yl-8H-purin-8-ide
CID 158135640
5-[2,6-di(propan-2-yl)phenyl]-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;7-methyl-9-phenyl-8H-purin-8-ide;9-methyl-7-phenyl-8H-purin-8-ide;tris(1-phenyl-3-phenyl-2H-benzimidazol-2-ide);1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide
CID 159971487
iridium;7-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 58943914
iridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;1-phenyl-3-phenyl-2H-benzimidazol-2-ide
CID 58556265
3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;tris(iridium);2-methyl-5-(5-methylfluoranthen-2-yl)fluoranthene;1-phenylpyrazole;(4-pyridin-2-ylbenzene-5-id-1-yl)-bis(2,4,6-trimethylphenyl)borane
CID 159481524
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
bis(2-(4H-1-benzofuran-4-id-5-yl)-1-(2,4,6-trimethylphenyl)imidazole);2-(6H-1-benzofuran-6-id-5-yl)-1-(2,4,6-trimethylphenyl)imidazole;10-benzyl-6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethyl-4-phenylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;10-(2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;octakis(iridium);7-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 159331384

Frequently Asked Questions

What is the IUPAC name of tris(3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide);tetrakis(iridium(3+));7-methyl-2-(2-methylphenyl)-9-phenyl-8H-purin-8-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;7-methyl-9-phenyl-8H-purin-8-ide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole?
The IUPAC name of tris(3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide);tetrakis(iridium(3+));7-methyl-2-(2-methylphenyl)-9-phenyl-8H-purin-8-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;7-methyl-9-phenyl-8H-purin-8-ide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole (CID 160882856) is tris(3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide);tetrakis(iridium(3+));7-methyl-2-(2-methylphenyl)-9-phenyl-8H-purin-8-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;7-methyl-9-phenyl-8H-purin-8-ide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole.
What is the SMILES notation for tris(3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide);tetrakis(iridium(3+));7-methyl-2-(2-methylphenyl)-9-phenyl-8H-purin-8-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;7-methyl-9-phenyl-8H-purin-8-ide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole?
The canonical SMILES for tris(3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide);tetrakis(iridium(3+));7-methyl-2-(2-methylphenyl)-9-phenyl-8H-purin-8-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;7-methyl-9-phenyl-8H-purin-8-ide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole is CN1[CH-]N(c2[c-]cccc2)c2nccnc21.CN1[CH-]N(c2[c-]cccc2)c2ncncc21.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1ccc2c(c1)c1ccc[c-]c1c1ncc(-c3c(C)cccc3C)n21.Cc1ccc2c(c1)c1ccc[c-]c1c1ncc(-c3c(C)cccc3C)n21.Cc1ccc2c(c1)c1ccc[c-]c1c1ncc(-c3c(C)cccc3C)n21.Cc1ccccc1-c1ncc2c(n1)N(c1[c-]cccc1)[CH-]N2C.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1N1[CH-]N(c2ccccc2)c2nccnc21.
What is the InChIKey of tris(3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide);tetrakis(iridium(3+));7-methyl-2-(2-methylphenyl)-9-phenyl-8H-purin-8-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;7-methyl-9-phenyl-8H-purin-8-ide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole?
The InChIKey is ZKQBKOCSXPRCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C24H19N2.C19H16N4.C18H17N2.C17H12N4.2C12H10N4.4Ir/c3*1-15-11-12-21-20(13-15)18-9-4-5-10-19(18)24-25-14-22(26(21)24)23-16(2)7-6-8-17(23)3;1-14-8-6-7-11-16(14)18-20-12-17-19(21-18)23(13-22(17)2)15-9-4-3-5-10-15;1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;1-3-7-14(8-4-1)20-13-21(15-9-5-2-6-10-15)17-16(20)18-11-12-19-17;1-15-9-16(10-5-3-2-4-6-10)12-11(15)7-13-8-14-12;1-15-9-16(10-5-3-2-4-6-10)12-11(15)13-7-8-14-12;;;;/h3*4-9,11-14H,1-3H3;3-9,11-13H,1-2H3;4-7,9-12H,1-3H3;1-9,11-13H;2*2-5,7-9H,1H3;;;;/q3*-1;-2;-1;3*-2;4*+3.
What are the key properties of tris(3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide);tetrakis(iridium(3+));7-methyl-2-(2-methylphenyl)-9-phenyl-8H-purin-8-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;7-methyl-9-phenyl-8H-purin-8-ide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole?
tris(3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide);tetrakis(iridium(3+));7-methyl-2-(2-methylphenyl)-9-phenyl-8H-purin-8-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;7-methyl-9-phenyl-8H-purin-8-ide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole has a molecular weight of 3029.66 g/mol, XLogP of 33.97, 11 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide);tetrakis(iridium(3+));7-methyl-2-(2-methylphenyl)-9-phenyl-8H-purin-8-ide;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;7-methyl-9-phenyl-8H-purin-8-ide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole is sourced from PubChem (CID 160882856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).