4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-oxazole;4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-thiazole;tris(iridium);3-(3-phenylbenzene-6-id-1-yl)-1,2,4-oxadiazole;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole

C63H45Ir3N7O2PtS2-4 — CID 162189971

About 4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-oxazole;4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-thiazole;tris(iridium);3-(3-phenylbenzene-6-id-1-yl)-1,2,4-oxadiazole;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole

4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-oxazole;4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-thiazole;tris(iridium);3-(3-phenylbenzene-6-id-1-yl)-1,2,4-oxadiazole;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole (PubChem CID 162189971) has the molecular formula C63H45Ir3N7O2PtS2-4 and a molecular weight of 1767.96 g/mol. Its IUPAC name is 4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-oxazole;4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-thiazole;tris(iridium);3-(3-phenylbenzene-6-id-1-yl)-1,2,4-oxadiazole;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole.

Molecular Properties

• Compound Name: 4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-oxazole;4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-thiazole;tris(iridium);3-(3-phenylbenzene-6-id-1-yl)-1,2,4-oxadiazole;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole
• PubChem CID: 162189971
• Molecular Formula: C63H45Ir3N7O2PtS2-4
• Molecular Weight: 1767.96 g/mol
• Exact Mass: 1769.16
• IUPAC Name: 4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-oxazole;4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-thiazole;tris(iridium);3-(3-phenylbenzene-6-id-1-yl)-1,2,4-oxadiazole;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole
• SMILES: CC1(C)c2ccccc2-c2c[c-]c(-c3cocn3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3cscn3)cc21.[Ir].[Ir].[Ir].[Pt].[c-]1ccc(-c2ccccc2)cc1-c1ncon1.[c-]1ccc(-c2ccccn2)cc1-c1ncsn1
• InChI: InChI=1S/C18H14NO.C18H14NS.C14H9N2O.C13H8N3S.3Ir.Pt/c2*1-18(2)15-6-4-3-5-13(15)14-8-7-12(9-16(14)18)17-10-20-11-19-17;1-2-5-11(6-3-1)12-7-4-8-13(9-12)14-15-10-17-16-14;1-2-7-14-12(6-1)10-4-3-5-11(8-10)13-15-9-17-16-13;;;;/h2*3-6,8-11H,1-2H3;1-7,9-10H;1-4,6-9H;;;;/q4*-1
• InChIKey: RNMNEHSTIGCJCG-UHFFFAOYSA-N
• XLogP: 15.63
• TPSA: 116.51 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1767.96
LogP ≤ 5	15.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-oxazole;4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-thiazole;tris(iridium);3-(3-phenylbenzene-6-id-1-yl)-1,2,4-oxadiazole;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole?

The IUPAC name of 4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-oxazole;4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-thiazole;tris(iridium);3-(3-phenylbenzene-6-id-1-yl)-1,2,4-oxadiazole;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole (CID 162189971) is 4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-oxazole;4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-thiazole;tris(iridium);3-(3-phenylbenzene-6-id-1-yl)-1,2,4-oxadiazole;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole.

What is the SMILES notation for 4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-oxazole;4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-thiazole;tris(iridium);3-(3-phenylbenzene-6-id-1-yl)-1,2,4-oxadiazole;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole?

The canonical SMILES for 4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-oxazole;4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-thiazole;tris(iridium);3-(3-phenylbenzene-6-id-1-yl)-1,2,4-oxadiazole;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole is CC1(C)c2ccccc2-c2c[c-]c(-c3cocn3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3cscn3)cc21.[Ir].[Ir].[Ir].[Pt].[c-]1ccc(-c2ccccc2)cc1-c1ncon1.[c-]1ccc(-c2ccccn2)cc1-c1ncsn1.

What is the InChIKey of 4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-oxazole;4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-thiazole;tris(iridium);3-(3-phenylbenzene-6-id-1-yl)-1,2,4-oxadiazole;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole?

The InChIKey is RNMNEHSTIGCJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14NO.C18H14NS.C14H9N2O.C13H8N3S.3Ir.Pt/c2*1-18(2)15-6-4-3-5-13(15)14-8-7-12(9-16(14)18)17-10-20-11-19-17;1-2-5-11(6-3-1)12-7-4-8-13(9-12)14-15-10-17-16-14;1-2-7-14-12(6-1)10-4-3-5-11(8-10)13-15-9-17-16-13;;;;/h2*3-6,8-11H,1-2H3;1-7,9-10H;1-4,6-9H;;;;/q4*-1;;;;.

What are the key properties of 4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-oxazole;4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-thiazole;tris(iridium);3-(3-phenylbenzene-6-id-1-yl)-1,2,4-oxadiazole;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole?

4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-oxazole;4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-thiazole;tris(iridium);3-(3-phenylbenzene-6-id-1-yl)-1,2,4-oxadiazole;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole has a molecular weight of 1767.96 g/mol, XLogP of 15.63, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-oxazole;4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-thiazole;tris(iridium);3-(3-phenylbenzene-6-id-1-yl)-1,2,4-oxadiazole;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 162189971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).