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

C362H353Ir9N33O2-11 — CID 157336097

IUPAC1-(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
SMILESCC.CC.CC(=O)C=C(C)O.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.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.CN1C=CN(c2[c-]cccc2)[CH-]1.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.Cc1cccc(C)c1-n1ccnc1-c1[c-]cccc1.Cn1c(-c2[c-]cccc2)nc2ccccc21.Cn1ccnc1-c1[c-]cccc1.[Ir+3].[Ir+3].[Ir+3].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1.[c-]1ccccc1N1C=CN(c2ccccc2)[CH-]1
InChIInChI=1S/9C27H27N2.C19H13N2.C17H15N2.C15H12N2.C14H12N2.C14H11N2.C11H8N.C10H10N2.C10H9N2.C5H8O2.2C2H6.9Ir/c9*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;1-3-9-15(10-4-1)19-20-17-13-7-8-14-18(17)21(19)16-11-5-2-6-12-16;1-13-7-6-8-14(2)16(13)19-12-11-18-17(19)15-9-4-3-5-10-15;1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;1-16-13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-11-7-8-12(9-11)10-5-3-2-4-6-10;1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-4(6)3-5(2)7;2*1-2;;;;;;;;;/h9*5-13,15-20H,1-4H3;1-9,11-14H;3-9,11-12H,1-2H3;1-9,11-13H;2-7,9-11H,1H3;2-7,9-10H,1H3;1-6,8-9H;2-5,7-9H,1H3;2-5,7-8H,1H3;3,6H,1-2H3;2*1-2H3;;;;;;;;;/q11*-1;2*-2;2*-1;-2;-1;;;;;;;;;;3*+3
InChIKeyFNGJXQDIDKYUMD-UHFFFAOYSA-N
MW6927.99 g/mol
LogP92.70
Rot. Bonds57

About 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

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 (PubChem CID 157336097) has the molecular formula C362H353Ir9N33O2-11 and a molecular weight of 6927.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID157336097
Molecular FormulaC362H353Ir9N33O2-11
Molecular Weight6927.99 g/mol
Exact Mass6930.53
IUPAC Name1-(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
SMILESCC.CC.CC(=O)C=C(C)O.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.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.CN1C=CN(c2[c-]cccc2)[CH-]1.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.Cc1cccc(C)c1-n1ccnc1-c1[c-]cccc1.Cn1c(-c2[c-]cccc2)nc2ccccc21.Cn1ccnc1-c1[c-]cccc1.[Ir+3].[Ir+3].[Ir+3].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1.[c-]1ccccc1N1C=CN(c2ccccc2)[CH-]1
InChIInChI=1S/9C27H27N2.C19H13N2.C17H15N2.C15H12N2.C14H12N2.C14H11N2.C11H8N.C10H10N2.C10H9N2.C5H8O2.2C2H6.9Ir/c9*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;1-3-9-15(10-4-1)19-20-17-13-7-8-14-18(17)21(19)16-11-5-2-6-12-16;1-13-7-6-8-14(2)16(13)19-12-11-18-17(19)15-9-4-3-5-10-15;1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;1-16-13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-11-7-8-12(9-11)10-5-3-2-4-6-10;1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-4(6)3-5(2)7;2*1-2;;;;;;;;;/h9*5-13,15-20H,1-4H3;1-9,11-14H;3-9,11-12H,1-2H3;1-9,11-13H;2-7,9-11H,1H3;2-7,9-10H,1H3;1-6,8-9H;2-5,7-9H,1H3;2-5,7-8H,1H3;3,6H,1-2H3;2*1-2H3;;;;;;;;;/q11*-1;2*-2;2*-1;-2;-1;;;;;;;;;;3*+3
InChIKeyFNGJXQDIDKYUMD-UHFFFAOYSA-N
XLogP92.70
TPSA301.29 Ų
H-Bond Donors1
H-Bond Acceptors35
Rotatable Bonds57
Heavy Atoms406
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006927.99
LogP ≤ 592.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1035

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CC.CC(=O)C=C(C)O.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.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.CN1C=CN(c2[c-]cccc2)[CH-]1.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.Cc1cccc(C)c1-n1ccnc1-c1[c-]cccc1.Cn1c(-c2[c-]cccc2)nc2ccccc21.Cn1ccnc1-c1[c-]cccc1.[Ir+3].[Ir+3].[Ir+3].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1.[c-]1ccccc1N1C=CN(c2ccccc2)[CH-]1.
What is the InChIKey of 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?
The InChIKey is FNGJXQDIDKYUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/9C27H27N2.C19H13N2.C17H15N2.C15H12N2.C14H12N2.C14H11N2.C11H8N.C10H10N2.C10H9N2.C5H8O2.2C2H6.9Ir/c9*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;1-3-9-15(10-4-1)19-20-17-13-7-8-14-18(17)21(19)16-11-5-2-6-12-16;1-13-7-6-8-14(2)16(13)19-12-11-18-17(19)15-9-4-3-5-10-15;1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;1-16-13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-11-7-8-12(9-11)10-5-3-2-4-6-10;1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-4(6)3-5(2)7;2*1-2;;;;;;;;;/h9*5-13,15-20H,1-4H3;1-9,11-14H;3-9,11-12H,1-2H3;1-9,11-13H;2-7,9-11H,1H3;2-7,9-10H,1H3;1-6,8-9H;2-5,7-9H,1H3;2-5,7-8H,1H3;3,6H,1-2H3;2*1-2H3;;;;;;;;;/q11*-1;2*-2;2*-1;-2;-1;;;;;;;;;;3*+3.
What are the key properties of 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?
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 has a molecular weight of 6927.99 g/mol, XLogP of 92.70, 57 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157336097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).