2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;1-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-3-phenylisoquinoline;bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium)

C60H52F5Ir2N11-8 — CID 153425463

About 2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;1-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-3-phenylisoquinoline;bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium)

2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;1-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-3-phenylisoquinoline;bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium) (PubChem CID 153425463) has the molecular formula C60H52F5Ir2N11-8 and a molecular weight of 1406.58 g/mol. Its IUPAC name is 2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;1-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-3-phenylisoquinoline;bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium).

Molecular Properties

• Compound Name: 2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;1-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-3-phenylisoquinoline;bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium)
• PubChem CID: 153425463
• Molecular Formula: C60H52F5Ir2N11-8
• Molecular Weight: 1406.58 g/mol
• Exact Mass: 1407.36
• IUPAC Name: 2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;1-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-3-phenylisoquinoline;bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium)
• SMILES: CC(C)(C)c1c[c-]c(-c2cccc(-c3cc(C(F)(F)F)n[n-]3)n2)cc1.CC(C)(C)c1n[n-]c(-c2nc(-c3[c-]cccc3)cc3ccccc23)n1.CN1C=CN(c2[c-]cc(F)cc2)[CH-]1.CN1C=CN(c2[c-]cc(F)cc2)[CH-]1.[Ir].[Ir]
• InChI: InChI=1S/C21H18N4.C19H16F3N3.2C10H9FN2.2Ir/c1-21(2,3)20-23-19(24-25-20)18-16-12-8-7-11-15(16)13-17(22-18)14-9-5-4-6-10-14;1-18(2,3)13-9-7-12(8-10-13)14-5-4-6-15(23-14)16-11-17(25-24-16)19(20,21)22;2*1-12-6-7-13(8-12)10-4-2-9(11)3-5-10;;/h4-9,11-13H,1-3H3;4-7,9-11H,1-3H3;2*2-4,6-8H,1H3;;/q4*-2
• InChIKey: QOLFZTOVUHCMLC-UHFFFAOYSA-N
• XLogP: 13.23
• TPSA: 105.61 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1406.58
LogP ≤ 5	13.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;1-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-3-phenylisoquinoline;bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium)?

The IUPAC name of 2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;1-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-3-phenylisoquinoline;bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium) (CID 153425463) is 2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;1-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-3-phenylisoquinoline;bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium).

What is the SMILES notation for 2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;1-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-3-phenylisoquinoline;bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium)?

The canonical SMILES for 2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;1-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-3-phenylisoquinoline;bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium) is CC(C)(C)c1c[c-]c(-c2cccc(-c3cc(C(F)(F)F)n[n-]3)n2)cc1.CC(C)(C)c1n[n-]c(-c2nc(-c3[c-]cccc3)cc3ccccc23)n1.CN1C=CN(c2[c-]cc(F)cc2)[CH-]1.CN1C=CN(c2[c-]cc(F)cc2)[CH-]1.[Ir].[Ir].

What is the InChIKey of 2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;1-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-3-phenylisoquinoline;bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium)?

The InChIKey is QOLFZTOVUHCMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4.C19H16F3N3.2C10H9FN2.2Ir/c1-21(2,3)20-23-19(24-25-20)18-16-12-8-7-11-15(16)13-17(22-18)14-9-5-4-6-10-14;1-18(2,3)13-9-7-12(8-10-13)14-5-4-6-15(23-14)16-11-17(25-24-16)19(20,21)22;2*1-12-6-7-13(8-12)10-4-2-9(11)3-5-10;;/h4-9,11-13H,1-3H3;4-7,9-11H,1-3H3;2*2-4,6-8H,1H3;;/q4*-2;;.

What are the key properties of 2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;1-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-3-phenylisoquinoline;bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium)?

2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;1-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-3-phenylisoquinoline;bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium) has a molecular weight of 1406.58 g/mol, XLogP of 13.23, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;1-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-3-phenylisoquinoline;bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium) is sourced from PubChem (CID 153425463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).