1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;tris(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);pentakis(iridium);tris(2-(2-phenylpropan-2-yl)pyridine);9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;9-pyridin-2-yl-1H-carbazol-1-ide

C182H181Ir5N17-10 — CID 160772982

About 1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;tris(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);pentakis(iridium);tris(2-(2-phenylpropan-2-yl)pyridine);9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;9-pyridin-2-yl-1H-carbazol-1-ide

1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;tris(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);pentakis(iridium);tris(2-(2-phenylpropan-2-yl)pyridine);9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;9-pyridin-2-yl-1H-carbazol-1-ide (PubChem CID 160772982) has the molecular formula C182H181Ir5N17-10 and a molecular weight of 3567.65 g/mol. Its IUPAC name is 1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;tris(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);pentakis(iridium);tris(2-(2-phenylpropan-2-yl)pyridine);9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;9-pyridin-2-yl-1H-carbazol-1-ide.

Molecular Properties

• Compound Name: 1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;tris(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);pentakis(iridium);tris(2-(2-phenylpropan-2-yl)pyridine);9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;9-pyridin-2-yl-1H-carbazol-1-ide
• PubChem CID: 160772982
• Molecular Formula: C182H181Ir5N17-10
• Molecular Weight: 3567.65 g/mol
• Exact Mass: 3569.29
• IUPAC Name: 1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;tris(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);pentakis(iridium);tris(2-(2-phenylpropan-2-yl)pyridine);9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;9-pyridin-2-yl-1H-carbazol-1-ide
• SMILES: CC(C)(c1[c-]cccc1)c1ccccn1.CC(C)(c1[c-]cccc1)c1ccccn1.CC(C)(c1[c-]cccc1)c1ccccn1.CC(C)Cc1cccc(CC(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1ccnc(-n2c3[c-]cccc3c3ccccc32)c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cccc2c3ccccc3n(-c3ccccn3)c12
• InChI: InChI=1S/C23H27N2.3C21H23N2.C20H17N2.C17H11N2.C17H15N2.3C14H14N.5Ir/c1-17(2)15-20-11-8-12-21(16-18(3)4)22(20)25-14-13-24-23(25)19-9-6-5-7-10-19;3*1-15(2)18-11-8-12-19(16(3)4)20(18)23-14-13-22-21(23)17-9-6-5-7-10-17;1-14(2)15-11-12-21-20(13-15)22-18-9-5-3-7-16(18)17-8-4-6-10-19(17)22;1-3-9-15-13(7-1)14-8-2-4-10-16(14)19(15)17-11-5-6-12-18-17;1-13-7-6-8-14(2)16(13)19-12-11-18-17(19)15-9-4-3-5-10-15;3*1-14(2,12-8-4-3-5-9-12)13-10-6-7-11-15-13;;;;;/h5-9,11-14,17-18H,15-16H2,1-4H3;3*5-9,11-16H,1-4H3;3-9,11-14H,1-2H3;1-9,11-12H;3-9,11-12H,1-2H3;3*3-8,10-11H,1-2H3;;;;;/q10*-1
• InChIKey: VYJCMMWDNPWPRV-UHFFFAOYSA-N
• XLogP: 45.14
• TPSA: 163.41 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 29
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3567.65
LogP ≤ 5	45.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;tris(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);pentakis(iridium);tris(2-(2-phenylpropan-2-yl)pyridine);9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;9-pyridin-2-yl-1H-carbazol-1-ide?

The IUPAC name of 1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;tris(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);pentakis(iridium);tris(2-(2-phenylpropan-2-yl)pyridine);9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;9-pyridin-2-yl-1H-carbazol-1-ide (CID 160772982) is 1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;tris(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);pentakis(iridium);tris(2-(2-phenylpropan-2-yl)pyridine);9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;9-pyridin-2-yl-1H-carbazol-1-ide.

What is the SMILES notation for 1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;tris(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);pentakis(iridium);tris(2-(2-phenylpropan-2-yl)pyridine);9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;9-pyridin-2-yl-1H-carbazol-1-ide?

The canonical SMILES for 1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;tris(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);pentakis(iridium);tris(2-(2-phenylpropan-2-yl)pyridine);9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;9-pyridin-2-yl-1H-carbazol-1-ide is CC(C)(c1[c-]cccc1)c1ccccn1.CC(C)(c1[c-]cccc1)c1ccccn1.CC(C)(c1[c-]cccc1)c1ccccn1.CC(C)Cc1cccc(CC(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1ccnc(-n2c3[c-]cccc3c3ccccc32)c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cccc2c3ccccc3n(-c3ccccn3)c12.

What is the InChIKey of 1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;tris(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);pentakis(iridium);tris(2-(2-phenylpropan-2-yl)pyridine);9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;9-pyridin-2-yl-1H-carbazol-1-ide?

The InChIKey is VYJCMMWDNPWPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N2.3C21H23N2.C20H17N2.C17H11N2.C17H15N2.3C14H14N.5Ir/c1-17(2)15-20-11-8-12-21(16-18(3)4)22(20)25-14-13-24-23(25)19-9-6-5-7-10-19;3*1-15(2)18-11-8-12-19(16(3)4)20(18)23-14-13-22-21(23)17-9-6-5-7-10-17;1-14(2)15-11-12-21-20(13-15)22-18-9-5-3-7-16(18)17-8-4-6-10-19(17)22;1-3-9-15-13(7-1)14-8-2-4-10-16(14)19(15)17-11-5-6-12-18-17;1-13-7-6-8-14(2)16(13)19-12-11-18-17(19)15-9-4-3-5-10-15;3*1-14(2,12-8-4-3-5-9-12)13-10-6-7-11-15-13;;;;;/h5-9,11-14,17-18H,15-16H2,1-4H3;3*5-9,11-16H,1-4H3;3-9,11-14H,1-2H3;1-9,11-12H;3-9,11-12H,1-2H3;3*3-8,10-11H,1-2H3;;;;;/q10*-1;;;;;.

What are the key properties of 1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;tris(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);pentakis(iridium);tris(2-(2-phenylpropan-2-yl)pyridine);9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;9-pyridin-2-yl-1H-carbazol-1-ide?

1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;tris(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);pentakis(iridium);tris(2-(2-phenylpropan-2-yl)pyridine);9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;9-pyridin-2-yl-1H-carbazol-1-ide has a molecular weight of 3567.65 g/mol, XLogP of 45.14, 29 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;tris(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);pentakis(iridium);tris(2-(2-phenylpropan-2-yl)pyridine);9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;9-pyridin-2-yl-1H-carbazol-1-ide is sourced from PubChem (CID 160772982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).