8b,12,12a,12b-tetrahydroimidazo[1,2-f]phenanthridine-1,12-diide;2-[2,6-bis(2-methylpropyl)phenyl]-8b,12,12a,12b-tetrahydroimidazo[1,2-f]phenanthridine-1,12-diide;bis(iridium);tris(iridium(3+));1-methyl-2-phenylimidazole;1-phenyl-3-phenyl-2H-benzimidazol-2-ide;pentakis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole);2-phenylpyridine

C219H210Ir5N19-4 — CID 159413815

IUPAC8b,12,12a,12b-tetrahydroimidazo[1,2-f]phenanthridine-1,12-diide;2-[2,6-bis(2-methylpropyl)phenyl]-8b,12,12a,12b-tetrahydroimidazo[1,2-f]phenanthridine-1,12-diide;bis(iridium);tris(iridium(3+));1-methyl-2-phenylimidazole;1-phenyl-3-phenyl-2H-benzimidazol-2-ide;pentakis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole);2-phenylpyridine
SMILESCC(C)Cc1cccc(CC(C)C)c1C1=CN2c3ccccc3C3C=CC=[C-]C3C2[N-]1.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.[C-]1=CC=CC2c3ccccc3N3C=C[N-]C3C12.[Ir+3].[Ir+3].[Ir+3].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1N1[CH-]N(c2ccccc2)c2ccccc21
InChIInChI=1S/C29H32N2.5C27H27N2.C19H14N2.C15H12N2.C11H8N.C10H9N2.5Ir/c1-19(2)16-21-10-9-11-22(17-20(3)4)28(21)26-18-31-27-15-8-7-13-24(27)23-12-5-6-14-25(23)29(31)30-26;5*1-19(2)24-17-23(21-11-7-5-8-12-21)18-25(20(3)4)26(24)29-16-15-28-27(29)22-13-9-6-10-14-22;1-3-9-16(10-4-1)20-15-21(17-11-5-2-6-12-17)19-14-8-7-13-18(19)20;1-2-7-13-11(5-1)12-6-3-4-8-14(12)17-10-9-16-15(13)17;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-12-8-7-11-10(12)9-5-3-2-4-6-9;;;;;/h5-13,15,18-20,23,25,29H,16-17H2,1-4H3;5*5-13,15-20H,1-4H3;1-11,13-15H;1-6,8-11,13,15H;1-6,8-9H;2-5,7-8H,1H3;;;;;/q-2;5*-1;2*-2;2*-1;;;3*+3
InChIKeyVJRJCDRYHJBFNR-UHFFFAOYSA-N
MW4069.31 g/mol
LogP56.15
Rot. Bonds34

About 8b,12,12a,12b-tetrahydroimidazo[1,2-f]phenanthridine-1,12-diide;2-[2,6-bis(2-methylpropyl)phenyl]-8b,12,12a,12b-tetrahydroimidazo[1,2-f]phenanthridine-1,12-diide;bis(iridium);tris(iridium(3+));1-methyl-2-phenylimidazole;1-phenyl-3-phenyl-2H-benzimidazol-2-ide;pentakis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole);2-phenylpyridine

8b,12,12a,12b-tetrahydroimidazo[1,2-f]phenanthridine-1,12-diide;2-[2,6-bis(2-methylpropyl)phenyl]-8b,12,12a,12b-tetrahydroimidazo[1,2-f]phenanthridine-1,12-diide;bis(iridium);tris(iridium(3+));1-methyl-2-phenylimidazole;1-phenyl-3-phenyl-2H-benzimidazol-2-ide;pentakis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole);2-phenylpyridine (PubChem CID 159413815) has the molecular formula C219H210Ir5N19-4 and a molecular weight of 4069.31 g/mol. Its IUPAC name is 8b,12,12a,12b-tetrahydroimidazo[1,2-f]phenanthridine-1,12-diide;2-[2,6-bis(2-methylpropyl)phenyl]-8b,12,12a,12b-tetrahydroimidazo[1,2-f]phenanthridine-1,12-diide;bis(iridium);tris(iridium(3+));1-methyl-2-phenylimidazole;1-phenyl-3-phenyl-2H-benzimidazol-2-ide;pentakis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole);2-phenylpyridine.

Molecular Properties

Compound Name8b,12,12a,12b-tetrahydroimidazo[1,2-f]phenanthridine-1,12-diide;2-[2,6-bis(2-methylpropyl)phenyl]-8b,12,12a,12b-tetrahydroimidazo[1,2-f]phenanthridine-1,12-diide;bis(iridium);tris(iridium(3+));1-methyl-2-phenylimidazole;1-phenyl-3-phenyl-2H-benzimidazol-2-ide;pentakis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole);2-phenylpyridine
PubChem CID159413815
Molecular FormulaC219H210Ir5N19-4
Molecular Weight4069.31 g/mol
Exact Mass4070.52
IUPAC Name8b,12,12a,12b-tetrahydroimidazo[1,2-f]phenanthridine-1,12-diide;2-[2,6-bis(2-methylpropyl)phenyl]-8b,12,12a,12b-tetrahydroimidazo[1,2-f]phenanthridine-1,12-diide;bis(iridium);tris(iridium(3+));1-methyl-2-phenylimidazole;1-phenyl-3-phenyl-2H-benzimidazol-2-ide;pentakis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole);2-phenylpyridine
SMILESCC(C)Cc1cccc(CC(C)C)c1C1=CN2c3ccccc3C3C=CC=[C-]C3C2[N-]1.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.[C-]1=CC=CC2c3ccccc3N3C=C[N-]C3C12.[Ir+3].[Ir+3].[Ir+3].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1N1[CH-]N(c2ccccc2)c2ccccc21
InChIInChI=1S/C29H32N2.5C27H27N2.C19H14N2.C15H12N2.C11H8N.C10H9N2.5Ir/c1-19(2)16-21-10-9-11-22(17-20(3)4)28(21)26-18-31-27-15-8-7-13-24(27)23-12-5-6-14-25(23)29(31)30-26;5*1-19(2)24-17-23(21-11-7-5-8-12-21)18-25(20(3)4)26(24)29-16-15-28-27(29)22-13-9-6-10-14-22;1-3-9-16(10-4-1)20-15-21(17-11-5-2-6-12-17)19-14-8-7-13-18(19)20;1-2-7-13-11(5-1)12-6-3-4-8-14(12)17-10-9-16-15(13)17;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-12-8-7-11-10(12)9-5-3-2-4-6-9;;;;;/h5-13,15,18-20,23,25,29H,16-17H2,1-4H3;5*5-13,15-20H,1-4H3;1-11,13-15H;1-6,8-11,13,15H;1-6,8-9H;2-5,7-8H,1H3;;;;;/q-2;5*-1;2*-2;2*-1;;;3*+3
InChIKeyVJRJCDRYHJBFNR-UHFFFAOYSA-N
XLogP56.15
TPSA160.97 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds34
Heavy Atoms243
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004069.31
LogP ≤ 556.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 8b,12,12a,12b-tetrahydroimidazo[1,2-f]phenanthridine-1,12-diide;2-[2,6-bis(2-methylpropyl)phenyl]-8b,12,12a,12b-tetrahydroimidazo[1,2-f]phenanthridine-1,12-diide;bis(iridium);tris(iridium(3+));1-methyl-2-phenylimidazole;1-phenyl-3-phenyl-2H-benzimidazol-2-ide;pentakis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole);2-phenylpyridine with MolForge

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Related Compounds

8b,12,12a,12b-tetrahydroimidazo[1,2-f]phenanthridine-1,12-diide;2-[2,6-bis(2-methylpropyl)phenyl]-8b,12,12a,12b-tetrahydroimidazo[1,2-f]phenanthridine-1,12-diide;tetrakis(iridium(3+));methane;1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-phenyl-3-phenyl-2H-benzimidazol-2-ide;tetrakis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole)
CID 162248068
1-(2,6-dimethylphenyl)-2-phenylimidazole;ethane;4-hydroxypent-3-en-2-one;hexakis(iridium);tris(iridium(3+));1-methyl-2-phenylbenzimidazole;1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole;1-methyl-3-phenyl-2H-imidazol-2-ide;1-phenyl-2-phenylbenzimidazole;nonakis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole);1-phenyl-3-phenyl-2H-imidazol-2-ide;2-phenylpyridine
CID 157336097
bis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);iridium(3+);2-phenylpyridine
CID 170539461
1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium(3+);9-methyl-7-phenyl-8H-purin-8-ide
CID 58556384
iridium;1-phenyl-2-phenylbenzimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
CID 58175662
1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dicyclohexyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tetrakis(iridium);methane;2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole
CID 157303526
iridium(3+);2-[3-phenyl-6-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]phenol;2-[3-(4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine
CID 171438785
2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;tetrakis(iridium);iridium(3+);bis(1-methyl-2-phenylimidazole);1-phenyl-2-phenylimidazole;1-phenyl-3-phenyl-2H-imidazol-2-ide
CID 158359208
1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;tris(2-[diphenyl(phenyl)methyl]pyridine);1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium)
CID 159200980
iridium;tris(iridium(3+));1-(2-methylphenyl)-4-phenylbenzene-5-ide;2-methyl-1-phenyl-4-phenylbenzene-5-ide;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine)
CID 159856319
1-(2,6-dicyclohexyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-[4-(3,5-diphenylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tetrakis(iridium);2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole
CID 162032684
1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium(3+);3-(3-methyl-2H-imidazol-2-id-1-yl)-9-phenyl-2H-carbazol-2-ide
CID 140810179

Frequently Asked Questions

What is the IUPAC name of 8b,12,12a,12b-tetrahydroimidazo[1,2-f]phenanthridine-1,12-diide;2-[2,6-bis(2-methylpropyl)phenyl]-8b,12,12a,12b-tetrahydroimidazo[1,2-f]phenanthridine-1,12-diide;bis(iridium);tris(iridium(3+));1-methyl-2-phenylimidazole;1-phenyl-3-phenyl-2H-benzimidazol-2-ide;pentakis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole);2-phenylpyridine?
The IUPAC name of 8b,12,12a,12b-tetrahydroimidazo[1,2-f]phenanthridine-1,12-diide;2-[2,6-bis(2-methylpropyl)phenyl]-8b,12,12a,12b-tetrahydroimidazo[1,2-f]phenanthridine-1,12-diide;bis(iridium);tris(iridium(3+));1-methyl-2-phenylimidazole;1-phenyl-3-phenyl-2H-benzimidazol-2-ide;pentakis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole);2-phenylpyridine (CID 159413815) is 8b,12,12a,12b-tetrahydroimidazo[1,2-f]phenanthridine-1,12-diide;2-[2,6-bis(2-methylpropyl)phenyl]-8b,12,12a,12b-tetrahydroimidazo[1,2-f]phenanthridine-1,12-diide;bis(iridium);tris(iridium(3+));1-methyl-2-phenylimidazole;1-phenyl-3-phenyl-2H-benzimidazol-2-ide;pentakis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole);2-phenylpyridine.
What is the SMILES notation for 8b,12,12a,12b-tetrahydroimidazo[1,2-f]phenanthridine-1,12-diide;2-[2,6-bis(2-methylpropyl)phenyl]-8b,12,12a,12b-tetrahydroimidazo[1,2-f]phenanthridine-1,12-diide;bis(iridium);tris(iridium(3+));1-methyl-2-phenylimidazole;1-phenyl-3-phenyl-2H-benzimidazol-2-ide;pentakis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole);2-phenylpyridine?
The canonical SMILES for 8b,12,12a,12b-tetrahydroimidazo[1,2-f]phenanthridine-1,12-diide;2-[2,6-bis(2-methylpropyl)phenyl]-8b,12,12a,12b-tetrahydroimidazo[1,2-f]phenanthridine-1,12-diide;bis(iridium);tris(iridium(3+));1-methyl-2-phenylimidazole;1-phenyl-3-phenyl-2H-benzimidazol-2-ide;pentakis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole);2-phenylpyridine is CC(C)Cc1cccc(CC(C)C)c1C1=CN2c3ccccc3C3C=CC=[C-]C3C2[N-]1.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.[C-]1=CC=CC2c3ccccc3N3C=C[N-]C3C12.[Ir+3].[Ir+3].[Ir+3].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1N1[CH-]N(c2ccccc2)c2ccccc21.
What is the InChIKey of 8b,12,12a,12b-tetrahydroimidazo[1,2-f]phenanthridine-1,12-diide;2-[2,6-bis(2-methylpropyl)phenyl]-8b,12,12a,12b-tetrahydroimidazo[1,2-f]phenanthridine-1,12-diide;bis(iridium);tris(iridium(3+));1-methyl-2-phenylimidazole;1-phenyl-3-phenyl-2H-benzimidazol-2-ide;pentakis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole);2-phenylpyridine?
The InChIKey is VJRJCDRYHJBFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2.5C27H27N2.C19H14N2.C15H12N2.C11H8N.C10H9N2.5Ir/c1-19(2)16-21-10-9-11-22(17-20(3)4)28(21)26-18-31-27-15-8-7-13-24(27)23-12-5-6-14-25(23)29(31)30-26;5*1-19(2)24-17-23(21-11-7-5-8-12-21)18-25(20(3)4)26(24)29-16-15-28-27(29)22-13-9-6-10-14-22;1-3-9-16(10-4-1)20-15-21(17-11-5-2-6-12-17)19-14-8-7-13-18(19)20;1-2-7-13-11(5-1)12-6-3-4-8-14(12)17-10-9-16-15(13)17;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-12-8-7-11-10(12)9-5-3-2-4-6-9;;;;;/h5-13,15,18-20,23,25,29H,16-17H2,1-4H3;5*5-13,15-20H,1-4H3;1-11,13-15H;1-6,8-11,13,15H;1-6,8-9H;2-5,7-8H,1H3;;;;;/q-2;5*-1;2*-2;2*-1;;;3*+3.
What are the key properties of 8b,12,12a,12b-tetrahydroimidazo[1,2-f]phenanthridine-1,12-diide;2-[2,6-bis(2-methylpropyl)phenyl]-8b,12,12a,12b-tetrahydroimidazo[1,2-f]phenanthridine-1,12-diide;bis(iridium);tris(iridium(3+));1-methyl-2-phenylimidazole;1-phenyl-3-phenyl-2H-benzimidazol-2-ide;pentakis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole);2-phenylpyridine?
8b,12,12a,12b-tetrahydroimidazo[1,2-f]phenanthridine-1,12-diide;2-[2,6-bis(2-methylpropyl)phenyl]-8b,12,12a,12b-tetrahydroimidazo[1,2-f]phenanthridine-1,12-diide;bis(iridium);tris(iridium(3+));1-methyl-2-phenylimidazole;1-phenyl-3-phenyl-2H-benzimidazol-2-ide;pentakis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole);2-phenylpyridine has a molecular weight of 4069.31 g/mol, XLogP of 56.15, 34 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 8b,12,12a,12b-tetrahydroimidazo[1,2-f]phenanthridine-1,12-diide;2-[2,6-bis(2-methylpropyl)phenyl]-8b,12,12a,12b-tetrahydroimidazo[1,2-f]phenanthridine-1,12-diide;bis(iridium);tris(iridium(3+));1-methyl-2-phenylimidazole;1-phenyl-3-phenyl-2H-benzimidazol-2-ide;pentakis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole);2-phenylpyridine is sourced from PubChem (CID 159413815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).