1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;hexakis(iridium);1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole;2-phenyl-1,3-thiazole

C71H56Ir6N10OS-6 — CID 158793363

About 1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;hexakis(iridium);1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole;2-phenyl-1,3-thiazole

1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;hexakis(iridium);1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole;2-phenyl-1,3-thiazole (PubChem CID 158793363) has the molecular formula C71H56Ir6N10OS-6 and a molecular weight of 2250.67 g/mol. Its IUPAC name is 1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;hexakis(iridium);1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole;2-phenyl-1,3-thiazole.

Molecular Properties

• Compound Name: 1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;hexakis(iridium);1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole;2-phenyl-1,3-thiazole
• PubChem CID: 158793363
• Molecular Formula: C71H56Ir6N10OS-6
• Molecular Weight: 2250.67 g/mol
• Exact Mass: 2254.22
• IUPAC Name: 1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;hexakis(iridium);1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole;2-phenyl-1,3-thiazole
• SMILES: CC1(C)c2ccccc2-c2c[c-]c(-n3cccn3)cc21.Cn1ccnc1-c1[c-]ccc(-c2ccccc2)c1.Cn1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ncco1.[c-]1ccccc1-c1nccs1.[c-]1ccccc1-n1cccn1
• InChI: InChI=1S/C18H15N2.C16H13N2.C10H9N2.C9H7N2.C9H6NO.C9H6NS.6Ir/c1-18(2)16-7-4-3-6-14(16)15-9-8-13(12-17(15)18)20-11-5-10-19-20;1-18-11-10-17-16(18)15-9-5-8-14(12-15)13-6-3-2-4-7-13;1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-2-5-9(6-3-1)11-8-4-7-10-11;2*1-2-4-8(5-3-1)9-10-6-7-11-9;;;;;;/h3-7,9-12H,1-2H3;2-8,10-12H,1H3;2-5,7-8H,1H3;1-5,7-8H;2*1-4,6-7H;;;;;;/q6*-1
• InChIKey: SSVHDHOCOMRMDT-UHFFFAOYSA-N
• XLogP: 15.83
• TPSA: 110.20 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2250.67
LogP ≤ 5	15.83
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 1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;hexakis(iridium);1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole;2-phenyl-1,3-thiazole?

The IUPAC name of 1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;hexakis(iridium);1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole;2-phenyl-1,3-thiazole (CID 158793363) is 1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;hexakis(iridium);1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole;2-phenyl-1,3-thiazole.

What is the SMILES notation for 1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;hexakis(iridium);1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole;2-phenyl-1,3-thiazole?

The canonical SMILES for 1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;hexakis(iridium);1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole;2-phenyl-1,3-thiazole is CC1(C)c2ccccc2-c2c[c-]c(-n3cccn3)cc21.Cn1ccnc1-c1[c-]ccc(-c2ccccc2)c1.Cn1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ncco1.[c-]1ccccc1-c1nccs1.[c-]1ccccc1-n1cccn1.

What is the InChIKey of 1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;hexakis(iridium);1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole;2-phenyl-1,3-thiazole?

The InChIKey is SSVHDHOCOMRMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N2.C16H13N2.C10H9N2.C9H7N2.C9H6NO.C9H6NS.6Ir/c1-18(2)16-7-4-3-6-14(16)15-9-8-13(12-17(15)18)20-11-5-10-19-20;1-18-11-10-17-16(18)15-9-5-8-14(12-15)13-6-3-2-4-7-13;1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-2-5-9(6-3-1)11-8-4-7-10-11;2*1-2-4-8(5-3-1)9-10-6-7-11-9;;;;;;/h3-7,9-12H,1-2H3;2-8,10-12H,1H3;2-5,7-8H,1H3;1-5,7-8H;2*1-4,6-7H;;;;;;/q6*-1;;;;;;.

What are the key properties of 1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;hexakis(iridium);1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole;2-phenyl-1,3-thiazole?

1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;hexakis(iridium);1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole;2-phenyl-1,3-thiazole has a molecular weight of 2250.67 g/mol, XLogP of 15.83, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;hexakis(iridium);1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole;2-phenyl-1,3-thiazole is sourced from PubChem (CID 158793363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).