1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;pentakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

C110H78F3Ir5N9Pt-8 — CID 160945609

About 1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;pentakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;pentakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (PubChem CID 160945609) has the molecular formula C110H78F3Ir5N9Pt-8 and a molecular weight of 2739.05 g/mol. Its IUPAC name is 1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;pentakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.

Molecular Properties

• Compound Name: 1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;pentakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
• PubChem CID: 160945609
• Molecular Formula: C110H78F3Ir5N9Pt-8
• Molecular Weight: 2739.05 g/mol
• Exact Mass: 2741.42
• IUPAC Name: 1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;pentakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
• SMILES: CC1(C)c2ccccc2-c2c[c-]c(-n3cccn3)cc21.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
• InChI: InChI=1S/C18H15N2.C17H12N.2C15H10N.C12H7F3N.3C11H8N.5Ir.Pt/c1-18(2)16-7-4-3-6-14(16)15-9-8-13(12-17(15)18)20-11-5-10-19-20;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;/h3-7,9-12H,1-2H3;1-9,11-13H;2*1-7,9-11H;1-4,6-8H;3*1-6,8-9H;;;;;;/q8*-1
• InChIKey: SVOOIEVXMYHJNU-UHFFFAOYSA-N
• XLogP: 26.80
• TPSA: 108.05 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2739.05
LogP ≤ 5	26.80
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 1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;pentakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

The IUPAC name of 1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;pentakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (CID 160945609) is 1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;pentakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.

What is the SMILES notation for 1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;pentakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

The canonical SMILES for 1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;pentakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is CC1(C)c2ccccc2-c2c[c-]c(-n3cccn3)cc21.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.

What is the InChIKey of 1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;pentakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

The InChIKey is SVOOIEVXMYHJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N2.C17H12N.2C15H10N.C12H7F3N.3C11H8N.5Ir.Pt/c1-18(2)16-7-4-3-6-14(16)15-9-8-13(12-17(15)18)20-11-5-10-19-20;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;/h3-7,9-12H,1-2H3;1-9,11-13H;2*1-7,9-11H;1-4,6-8H;3*1-6,8-9H;;;;;;/q8*-1;;;;;;.

What are the key properties of 1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;pentakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;pentakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine has a molecular weight of 2739.05 g/mol, XLogP of 26.80, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;pentakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 160945609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).