tetrakis(3-[2,6-bis(2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide);tris(iridium);iridium(3+);1-methyl-9-(1-methylimidazol-2-yl)carbazole;1-methyl-9-(1-phenylimidazol-2-yl)carbazole;1-methyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;1-methyl-9-[1-(2-propan-2-ylphenyl)imidazol-2-yl]carbazole

C193H187Ir4N19-3 — CID 162281270

About tetrakis(3-[2,6-bis(2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide);tris(iridium);iridium(3+);1-methyl-9-(1-methylimidazol-2-yl)carbazole;1-methyl-9-(1-phenylimidazol-2-yl)carbazole;1-methyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;1-methyl-9-[1-(2-propan-2-ylphenyl)imidazol-2-yl]carbazole

tetrakis(3-[2,6-bis(2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide);tris(iridium);iridium(3+);1-methyl-9-(1-methylimidazol-2-yl)carbazole;1-methyl-9-(1-phenylimidazol-2-yl)carbazole;1-methyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;1-methyl-9-[1-(2-propan-2-ylphenyl)imidazol-2-yl]carbazole (PubChem CID 162281270) has the molecular formula C193H187Ir4N19-3 and a molecular weight of 3541.62 g/mol. Its IUPAC name is tetrakis(3-[2,6-bis(2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide);tris(iridium);iridium(3+);1-methyl-9-(1-methylimidazol-2-yl)carbazole;1-methyl-9-(1-phenylimidazol-2-yl)carbazole;1-methyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;1-methyl-9-[1-(2-propan-2-ylphenyl)imidazol-2-yl]carbazole.

Molecular Properties

• Compound Name: tetrakis(3-[2,6-bis(2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide);tris(iridium);iridium(3+);1-methyl-9-(1-methylimidazol-2-yl)carbazole;1-methyl-9-(1-phenylimidazol-2-yl)carbazole;1-methyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;1-methyl-9-[1-(2-propan-2-ylphenyl)imidazol-2-yl]carbazole
• PubChem CID: 162281270
• Molecular Formula: C193H187Ir4N19-3
• Molecular Weight: 3541.62 g/mol
• Exact Mass: 3542.38
• IUPAC Name: tetrakis(3-[2,6-bis(2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide);tris(iridium);iridium(3+);1-methyl-9-(1-methylimidazol-2-yl)carbazole;1-methyl-9-(1-phenylimidazol-2-yl)carbazole;1-methyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;1-methyl-9-[1-(2-propan-2-ylphenyl)imidazol-2-yl]carbazole
• SMILES: CC(C)Cc1cccc(CC(C)C)c1-c1cnc2c3[c-]cccc3c3ccccc3n12.CC(C)Cc1cccc(CC(C)C)c1-c1cnc2c3[c-]cccc3c3ccccc3n12.CC(C)Cc1cccc(CC(C)C)c1-c1cnc2c3[c-]cccc3c3ccccc3n12.CC(C)Cc1cccc(CC(C)C)c1-c1cnc2c3[c-]cccc3c3ccccc3n12.CN1C=CN(C(C)(C)c2[c-]cccc2)[CH-]1.Cc1cccc2c3ccccc3n(-c3nccn3-c3ccccc3)c12.Cc1cccc2c3ccccc3n(-c3nccn3-c3ccccc3C(C)C)c12.Cc1cccc2c3ccccc3n(-c3nccn3C)c12.[Ir+3].[Ir].[Ir].[Ir]
• InChI: InChI=1S/4C29H29N2.C25H23N3.C22H17N3.C17H15N3.C13H16N2.4Ir/c4*1-19(2)16-21-10-9-11-22(17-20(3)4)28(21)27-18-30-29-25-14-6-5-12-23(25)24-13-7-8-15-26(24)31(27)29;1-17(2)19-10-4-6-13-22(19)27-16-15-26-25(27)28-23-14-7-5-11-20(23)21-12-8-9-18(3)24(21)28;1-16-8-7-12-19-18-11-5-6-13-20(18)25(21(16)19)22-23-14-15-24(22)17-9-3-2-4-10-17;1-12-6-5-8-14-13-7-3-4-9-15(13)20(16(12)14)17-18-10-11-19(17)2;1-13(2,12-7-5-4-6-8-12)15-10-9-14(3)11-15;;;;/h4*5-13,15,18-20H,16-17H2,1-4H3;4-17H,1-3H3;2-15H,1H3;3-11H,1-2H3;4-7,9-11H,1-3H3;;;;/q4*-1;;;;-2;;;;+3
• InChIKey: INIJGQMNHLUMJM-UHFFFAOYSA-N
• XLogP: 48.07
• TPSA: 143.93 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 28
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3541.62
LogP ≤ 5	48.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrakis(3-[2,6-bis(2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide);tris(iridium);iridium(3+);1-methyl-9-(1-methylimidazol-2-yl)carbazole;1-methyl-9-(1-phenylimidazol-2-yl)carbazole;1-methyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;1-methyl-9-[1-(2-propan-2-ylphenyl)imidazol-2-yl]carbazole?

The IUPAC name of tetrakis(3-[2,6-bis(2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide);tris(iridium);iridium(3+);1-methyl-9-(1-methylimidazol-2-yl)carbazole;1-methyl-9-(1-phenylimidazol-2-yl)carbazole;1-methyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;1-methyl-9-[1-(2-propan-2-ylphenyl)imidazol-2-yl]carbazole (CID 162281270) is tetrakis(3-[2,6-bis(2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide);tris(iridium);iridium(3+);1-methyl-9-(1-methylimidazol-2-yl)carbazole;1-methyl-9-(1-phenylimidazol-2-yl)carbazole;1-methyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;1-methyl-9-[1-(2-propan-2-ylphenyl)imidazol-2-yl]carbazole.

What is the SMILES notation for tetrakis(3-[2,6-bis(2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide);tris(iridium);iridium(3+);1-methyl-9-(1-methylimidazol-2-yl)carbazole;1-methyl-9-(1-phenylimidazol-2-yl)carbazole;1-methyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;1-methyl-9-[1-(2-propan-2-ylphenyl)imidazol-2-yl]carbazole?

The canonical SMILES for tetrakis(3-[2,6-bis(2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide);tris(iridium);iridium(3+);1-methyl-9-(1-methylimidazol-2-yl)carbazole;1-methyl-9-(1-phenylimidazol-2-yl)carbazole;1-methyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;1-methyl-9-[1-(2-propan-2-ylphenyl)imidazol-2-yl]carbazole is CC(C)Cc1cccc(CC(C)C)c1-c1cnc2c3[c-]cccc3c3ccccc3n12.CC(C)Cc1cccc(CC(C)C)c1-c1cnc2c3[c-]cccc3c3ccccc3n12.CC(C)Cc1cccc(CC(C)C)c1-c1cnc2c3[c-]cccc3c3ccccc3n12.CC(C)Cc1cccc(CC(C)C)c1-c1cnc2c3[c-]cccc3c3ccccc3n12.CN1C=CN(C(C)(C)c2[c-]cccc2)[CH-]1.Cc1cccc2c3ccccc3n(-c3nccn3-c3ccccc3)c12.Cc1cccc2c3ccccc3n(-c3nccn3-c3ccccc3C(C)C)c12.Cc1cccc2c3ccccc3n(-c3nccn3C)c12.[Ir+3].[Ir].[Ir].[Ir].

What is the InChIKey of tetrakis(3-[2,6-bis(2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide);tris(iridium);iridium(3+);1-methyl-9-(1-methylimidazol-2-yl)carbazole;1-methyl-9-(1-phenylimidazol-2-yl)carbazole;1-methyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;1-methyl-9-[1-(2-propan-2-ylphenyl)imidazol-2-yl]carbazole?

The InChIKey is INIJGQMNHLUMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C29H29N2.C25H23N3.C22H17N3.C17H15N3.C13H16N2.4Ir/c4*1-19(2)16-21-10-9-11-22(17-20(3)4)28(21)27-18-30-29-25-14-6-5-12-23(25)24-13-7-8-15-26(24)31(27)29;1-17(2)19-10-4-6-13-22(19)27-16-15-26-25(27)28-23-14-7-5-11-20(23)21-12-8-9-18(3)24(21)28;1-16-8-7-12-19-18-11-5-6-13-20(18)25(21(16)19)22-23-14-15-24(22)17-9-3-2-4-10-17;1-12-6-5-8-14-13-7-3-4-9-15(13)20(16(12)14)17-18-10-11-19(17)2;1-13(2,12-7-5-4-6-8-12)15-10-9-14(3)11-15;;;;/h4*5-13,15,18-20H,16-17H2,1-4H3;4-17H,1-3H3;2-15H,1H3;3-11H,1-2H3;4-7,9-11H,1-3H3;;;;/q4*-1;;;;-2;;;;+3.

What are the key properties of tetrakis(3-[2,6-bis(2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide);tris(iridium);iridium(3+);1-methyl-9-(1-methylimidazol-2-yl)carbazole;1-methyl-9-(1-phenylimidazol-2-yl)carbazole;1-methyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;1-methyl-9-[1-(2-propan-2-ylphenyl)imidazol-2-yl]carbazole?

tetrakis(3-[2,6-bis(2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide);tris(iridium);iridium(3+);1-methyl-9-(1-methylimidazol-2-yl)carbazole;1-methyl-9-(1-phenylimidazol-2-yl)carbazole;1-methyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;1-methyl-9-[1-(2-propan-2-ylphenyl)imidazol-2-yl]carbazole has a molecular weight of 3541.62 g/mol, XLogP of 48.07, 28 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(3-[2,6-bis(2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide);tris(iridium);iridium(3+);1-methyl-9-(1-methylimidazol-2-yl)carbazole;1-methyl-9-(1-phenylimidazol-2-yl)carbazole;1-methyl-3-(2-phenylpropan-2-yl)-2H-imidazol-2-ide;1-methyl-9-[1-(2-propan-2-ylphenyl)imidazol-2-yl]carbazole is sourced from PubChem (CID 162281270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).