tris(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);tris(iridium);9-phenylpyrido[2,3-b]indole;9-(3-propan-2-ylbenzene-6-id-1-yl)pyrido[2,3-b]indole;6-propan-2-yl-9-(3-propan-2-ylbenzene-6-id-1-yl)pyrido[2,3-b]indole

C123H120Ir3N12-6 — CID 160572398

About tris(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);tris(iridium);9-phenylpyrido[2,3-b]indole;9-(3-propan-2-ylbenzene-6-id-1-yl)pyrido[2,3-b]indole;6-propan-2-yl-9-(3-propan-2-ylbenzene-6-id-1-yl)pyrido[2,3-b]indole

tris(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);tris(iridium);9-phenylpyrido[2,3-b]indole;9-(3-propan-2-ylbenzene-6-id-1-yl)pyrido[2,3-b]indole;6-propan-2-yl-9-(3-propan-2-ylbenzene-6-id-1-yl)pyrido[2,3-b]indole (PubChem CID 160572398) has the molecular formula C123H120Ir3N12-6 and a molecular weight of 2343.05 g/mol. Its IUPAC name is tris(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);tris(iridium);9-phenylpyrido[2,3-b]indole;9-(3-propan-2-ylbenzene-6-id-1-yl)pyrido[2,3-b]indole;6-propan-2-yl-9-(3-propan-2-ylbenzene-6-id-1-yl)pyrido[2,3-b]indole.

Molecular Properties

• Compound Name: tris(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);tris(iridium);9-phenylpyrido[2,3-b]indole;9-(3-propan-2-ylbenzene-6-id-1-yl)pyrido[2,3-b]indole;6-propan-2-yl-9-(3-propan-2-ylbenzene-6-id-1-yl)pyrido[2,3-b]indole
• PubChem CID: 160572398
• Molecular Formula: C123H120Ir3N12-6
• Molecular Weight: 2343.05 g/mol
• Exact Mass: 2343.87
• IUPAC Name: tris(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);tris(iridium);9-phenylpyrido[2,3-b]indole;9-(3-propan-2-ylbenzene-6-id-1-yl)pyrido[2,3-b]indole;6-propan-2-yl-9-(3-propan-2-ylbenzene-6-id-1-yl)pyrido[2,3-b]indole
• SMILES: CC(C)c1cc[c-]c(-n2c3ccc(C(C)C)cc3c3cccnc32)c1.CC(C)c1cc[c-]c(-n2c3ccccc3c3cccnc32)c1.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.[Ir].[Ir].[Ir].[c-]1ccccc1-n1c2ccccc2c2cccnc21
• InChI: InChI=1S/C23H23N2.3C21H23N2.C20H17N2.C17H11N2.3Ir/c1-15(2)17-7-5-8-19(13-17)25-22-11-10-18(16(3)4)14-21(22)20-9-6-12-24-23(20)25;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)15-7-5-8-16(13-15)22-19-11-4-3-9-17(19)18-10-6-12-21-20(18)22;1-2-7-13(8-3-1)19-16-11-5-4-9-14(16)15-10-6-12-18-17(15)19;;;/h5-7,9-16H,1-4H3;3*5-9,11-16H,1-4H3;3-7,9-14H,1-2H3;1-7,9-12H;;;/q6*-1
• InChIKey: RBAYEJYQCODVFZ-UHFFFAOYSA-N
• XLogP: 32.06
• TPSA: 106.92 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2343.05
LogP ≤ 5	32.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);tris(iridium);9-phenylpyrido[2,3-b]indole;9-(3-propan-2-ylbenzene-6-id-1-yl)pyrido[2,3-b]indole;6-propan-2-yl-9-(3-propan-2-ylbenzene-6-id-1-yl)pyrido[2,3-b]indole?

The IUPAC name of tris(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);tris(iridium);9-phenylpyrido[2,3-b]indole;9-(3-propan-2-ylbenzene-6-id-1-yl)pyrido[2,3-b]indole;6-propan-2-yl-9-(3-propan-2-ylbenzene-6-id-1-yl)pyrido[2,3-b]indole (CID 160572398) is tris(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);tris(iridium);9-phenylpyrido[2,3-b]indole;9-(3-propan-2-ylbenzene-6-id-1-yl)pyrido[2,3-b]indole;6-propan-2-yl-9-(3-propan-2-ylbenzene-6-id-1-yl)pyrido[2,3-b]indole.

What is the SMILES notation for tris(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);tris(iridium);9-phenylpyrido[2,3-b]indole;9-(3-propan-2-ylbenzene-6-id-1-yl)pyrido[2,3-b]indole;6-propan-2-yl-9-(3-propan-2-ylbenzene-6-id-1-yl)pyrido[2,3-b]indole?

The canonical SMILES for tris(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);tris(iridium);9-phenylpyrido[2,3-b]indole;9-(3-propan-2-ylbenzene-6-id-1-yl)pyrido[2,3-b]indole;6-propan-2-yl-9-(3-propan-2-ylbenzene-6-id-1-yl)pyrido[2,3-b]indole is CC(C)c1cc[c-]c(-n2c3ccc(C(C)C)cc3c3cccnc32)c1.CC(C)c1cc[c-]c(-n2c3ccccc3c3cccnc32)c1.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.[Ir].[Ir].[Ir].[c-]1ccccc1-n1c2ccccc2c2cccnc21.

What is the InChIKey of tris(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);tris(iridium);9-phenylpyrido[2,3-b]indole;9-(3-propan-2-ylbenzene-6-id-1-yl)pyrido[2,3-b]indole;6-propan-2-yl-9-(3-propan-2-ylbenzene-6-id-1-yl)pyrido[2,3-b]indole?

The InChIKey is RBAYEJYQCODVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N2.3C21H23N2.C20H17N2.C17H11N2.3Ir/c1-15(2)17-7-5-8-19(13-17)25-22-11-10-18(16(3)4)14-21(22)20-9-6-12-24-23(20)25;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)15-7-5-8-16(13-15)22-19-11-4-3-9-17(19)18-10-6-12-21-20(18)22;1-2-7-13(8-3-1)19-16-11-5-4-9-14(16)15-10-6-12-18-17(15)19;;;/h5-7,9-16H,1-4H3;3*5-9,11-16H,1-4H3;3-7,9-14H,1-2H3;1-7,9-12H;;;/q6*-1;;;.

What are the key properties of tris(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);tris(iridium);9-phenylpyrido[2,3-b]indole;9-(3-propan-2-ylbenzene-6-id-1-yl)pyrido[2,3-b]indole;6-propan-2-yl-9-(3-propan-2-ylbenzene-6-id-1-yl)pyrido[2,3-b]indole?

tris(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);tris(iridium);9-phenylpyrido[2,3-b]indole;9-(3-propan-2-ylbenzene-6-id-1-yl)pyrido[2,3-b]indole;6-propan-2-yl-9-(3-propan-2-ylbenzene-6-id-1-yl)pyrido[2,3-b]indole has a molecular weight of 2343.05 g/mol, XLogP of 32.06, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tris(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);tris(iridium);9-phenylpyrido[2,3-b]indole;9-(3-propan-2-ylbenzene-6-id-1-yl)pyrido[2,3-b]indole;6-propan-2-yl-9-(3-propan-2-ylbenzene-6-id-1-yl)pyrido[2,3-b]indole is sourced from PubChem (CID 160572398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).