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)

C189H194Ir4N16 — CID 162248068

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;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)
SMILESC.C.C.C.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.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.[C-]1=CC=CC2c3ccccc3N3C=C[N-]C3C12.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1N1[CH-]N(c2ccccc2)c2ccccc21
InChIInChI=1S/C29H32N2.4C27H27N2.C19H14N2.C15H12N2.C14H12N2.4CH4.4Ir/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;4*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;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;;;;;;;;/h5-13,15,18-20,23,25,29H,16-17H2,1-4H3;4*5-13,15-20H,1-4H3;1-11,13-15H;1-6,8-11,13,15H;2-7,9-11H,1H3;4*1H4;;;;/q-2;4*-1;3*-2;;;;;4*+3
InChIKeyBQOJBDRAUKHDPM-UHFFFAOYSA-N
MW3458.61 g/mol
LogP50.20
Rot. Bonds28

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;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)

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) (PubChem CID 162248068) has the molecular formula C189H194Ir4N16 and a molecular weight of 3458.61 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;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).

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;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)
PubChem CID162248068
Molecular FormulaC189H194Ir4N16
Molecular Weight3458.61 g/mol
Exact Mass3459.42
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;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)
SMILESC.C.C.C.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.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.[C-]1=CC=CC2c3ccccc3N3C=C[N-]C3C12.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1N1[CH-]N(c2ccccc2)c2ccccc21
InChIInChI=1S/C29H32N2.4C27H27N2.C19H14N2.C15H12N2.C14H12N2.4CH4.4Ir/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;4*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;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;;;;;;;;/h5-13,15,18-20,23,25,29H,16-17H2,1-4H3;4*5-13,15-20H,1-4H3;1-11,13-15H;1-6,8-11,13,15H;2-7,9-11H,1H3;4*1H4;;;;/q-2;4*-1;3*-2;;;;;4*+3
InChIKeyBQOJBDRAUKHDPM-UHFFFAOYSA-N
XLogP50.20
TPSA118.92 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds28
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003458.61
LogP ≤ 550.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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;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) 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;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
1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium(3+);9-methyl-7-phenyl-8H-purin-8-ide
CID 58556384
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
CID 162494045
CID 162494045
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;1-phenyl-2-phenylbenzimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
CID 58175662
2,6-dimethyl-4-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]pyridine;9-[4-[2-(4-fluorobenzene-6-id-1-yl)imidazol-1-yl]-3,5-di(propan-2-yl)phenyl]carbazole;tetrakis(iridium);bis(iridium(3+));1-[4-isocyano-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;5-[4-[2-(4-methylbenzene-6-id-1-yl)imidazol-1-yl]-3,5-di(propan-2-yl)phenyl]pyrimidine;1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);9-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]carbazole
CID 159473469
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
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
tetrakis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);bis(iridium);bis(2-(3-methyl-2H-imidazol-2-id-1-yl)-9-phenyl-3H-carbazol-3-ide)
CID 159178169
iridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;1-phenyl-3-phenyl-2H-benzimidazol-2-ide
CID 58556265
bis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);iridium(3+);2-phenylpyridine
CID 170539461

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;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)?
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;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) 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;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).
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;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)?
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;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) is C.C.C.C.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.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.[C-]1=CC=CC2c3ccccc3N3C=C[N-]C3C12.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[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;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)?
The InChIKey is BQOJBDRAUKHDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2.4C27H27N2.C19H14N2.C15H12N2.C14H12N2.4CH4.4Ir/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;4*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;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;;;;;;;;/h5-13,15,18-20,23,25,29H,16-17H2,1-4H3;4*5-13,15-20H,1-4H3;1-11,13-15H;1-6,8-11,13,15H;2-7,9-11H,1H3;4*1H4;;;;/q-2;4*-1;3*-2;;;;;4*+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;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)?
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) has a molecular weight of 3458.61 g/mol, XLogP of 50.20, 28 rotatable bonds, 0 hydrogen bond donors, and 14 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;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) is sourced from PubChem (CID 162248068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).