bis(3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylpyrazole);4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-thiazole;2-[3-[1-(4-ethenylphenyl)pyrazol-3-yl]benzene-4-id-1-yl]pyridine;hexakis(iridium);3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide;1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;4-(4-methyl-1,2,4-triazol-3-yl)-3H-1,2-thiazol-3-ide;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole

C122H98Ir6N20Pt2S3-8 — CID 160758914

About bis(3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylpyrazole);4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-thiazole;2-[3-[1-(4-ethenylphenyl)pyrazol-3-yl]benzene-4-id-1-yl]pyridine;hexakis(iridium);3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide;1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;4-(4-methyl-1,2,4-triazol-3-yl)-3H-1,2-thiazol-3-ide;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole

bis(3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylpyrazole);4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-thiazole;2-[3-[1-(4-ethenylphenyl)pyrazol-3-yl]benzene-4-id-1-yl]pyridine;hexakis(iridium);3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide;1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;4-(4-methyl-1,2,4-triazol-3-yl)-3H-1,2-thiazol-3-ide;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole (PubChem CID 160758914) has the molecular formula C122H98Ir6N20Pt2S3-8 and a molecular weight of 3483.92 g/mol. Its IUPAC name is bis(3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylpyrazole);4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-thiazole;2-[3-[1-(4-ethenylphenyl)pyrazol-3-yl]benzene-4-id-1-yl]pyridine;hexakis(iridium);3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide;1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;4-(4-methyl-1,2,4-triazol-3-yl)-3H-1,2-thiazol-3-ide;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole.

Molecular Properties

• Compound Name: bis(3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylpyrazole);4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-thiazole;2-[3-[1-(4-ethenylphenyl)pyrazol-3-yl]benzene-4-id-1-yl]pyridine;hexakis(iridium);3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide;1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;4-(4-methyl-1,2,4-triazol-3-yl)-3H-1,2-thiazol-3-ide;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole
• PubChem CID: 160758914
• Molecular Formula: C122H98Ir6N20Pt2S3-8
• Molecular Weight: 3483.92 g/mol
• Exact Mass: 3486.46
• IUPAC Name: bis(3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylpyrazole);4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-thiazole;2-[3-[1-(4-ethenylphenyl)pyrazol-3-yl]benzene-4-id-1-yl]pyridine;hexakis(iridium);3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide;1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;4-(4-methyl-1,2,4-triazol-3-yl)-3H-1,2-thiazol-3-ide;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole
• SMILES: C=Cc1ccc(-n2ccc(-c3[c-]ccc(-c4ccccn4)c3)n2)cc1.CC1(C)c2ccccc2-c2c[c-]c(-c3cscn3)cc21.Cn1ccc(-c2[c-]cc3c(c2)C(C)(C)c2ccccc2-3)n1.Cn1ccc(-c2[c-]cc3c(c2)C(C)(C)c2ccccc2-3)n1.Cn1ccc(-c2[c-]ccc(-c3ccccc3)c2)n1.Cn1ccnc1-c1[c-]ccnc1.Cn1cnnc1-c1[c-]nsc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[Pt].[c-]1ccc(-c2ccccn2)cc1-c1ncsn1
• InChI: InChI=1S/C22H16N3.2C19H17N2.C18H14NS.C16H13N2.C13H8N3S.C9H8N3.C6H5N4S.6Ir.2Pt/c1-2-17-9-11-20(12-10-17)25-15-13-22(24-25)19-7-5-6-18(16-19)21-8-3-4-14-23-21;2*1-19(2)16-7-5-4-6-14(16)15-9-8-13(12-17(15)19)18-10-11-21(3)20-18;1-18(2)15-6-4-3-5-13(15)14-8-7-12(9-16(14)18)17-10-20-11-19-17;1-18-11-10-16(17-18)15-9-5-8-14(12-15)13-6-3-2-4-7-13;1-2-7-14-12(6-1)10-4-3-5-11(8-10)13-15-9-17-16-13;1-12-6-5-11-9(12)8-3-2-4-10-7-8;1-10-4-7-9-6(10)5-2-8-11-3-5;;;;;;;;/h2-6,8-16H,1H2;2*4-7,9-12H,1-3H3;3-6,8-11H,1-2H3;2-8,10-12H,1H3;1-4,6-9H;2,4-7H,1H3;3-4H,1H3;;;;;;;;/q8*-1
• InChIKey: PJCWITBORITBBJ-UHFFFAOYSA-N
• XLogP: 26.97
• TPSA: 210.04 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 13
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3483.92
LogP ≤ 5	26.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylpyrazole);4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-thiazole;2-[3-[1-(4-ethenylphenyl)pyrazol-3-yl]benzene-4-id-1-yl]pyridine;hexakis(iridium);3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide;1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;4-(4-methyl-1,2,4-triazol-3-yl)-3H-1,2-thiazol-3-ide;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole?

The IUPAC name of bis(3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylpyrazole);4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-thiazole;2-[3-[1-(4-ethenylphenyl)pyrazol-3-yl]benzene-4-id-1-yl]pyridine;hexakis(iridium);3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide;1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;4-(4-methyl-1,2,4-triazol-3-yl)-3H-1,2-thiazol-3-ide;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole (CID 160758914) is bis(3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylpyrazole);4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-thiazole;2-[3-[1-(4-ethenylphenyl)pyrazol-3-yl]benzene-4-id-1-yl]pyridine;hexakis(iridium);3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide;1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;4-(4-methyl-1,2,4-triazol-3-yl)-3H-1,2-thiazol-3-ide;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole.

What is the SMILES notation for bis(3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylpyrazole);4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-thiazole;2-[3-[1-(4-ethenylphenyl)pyrazol-3-yl]benzene-4-id-1-yl]pyridine;hexakis(iridium);3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide;1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;4-(4-methyl-1,2,4-triazol-3-yl)-3H-1,2-thiazol-3-ide;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole?

The canonical SMILES for bis(3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylpyrazole);4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-thiazole;2-[3-[1-(4-ethenylphenyl)pyrazol-3-yl]benzene-4-id-1-yl]pyridine;hexakis(iridium);3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide;1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;4-(4-methyl-1,2,4-triazol-3-yl)-3H-1,2-thiazol-3-ide;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole is C=Cc1ccc(-n2ccc(-c3[c-]ccc(-c4ccccn4)c3)n2)cc1.CC1(C)c2ccccc2-c2c[c-]c(-c3cscn3)cc21.Cn1ccc(-c2[c-]cc3c(c2)C(C)(C)c2ccccc2-3)n1.Cn1ccc(-c2[c-]cc3c(c2)C(C)(C)c2ccccc2-3)n1.Cn1ccc(-c2[c-]ccc(-c3ccccc3)c2)n1.Cn1ccnc1-c1[c-]ccnc1.Cn1cnnc1-c1[c-]nsc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[Pt].[c-]1ccc(-c2ccccn2)cc1-c1ncsn1.

What is the InChIKey of bis(3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylpyrazole);4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-thiazole;2-[3-[1-(4-ethenylphenyl)pyrazol-3-yl]benzene-4-id-1-yl]pyridine;hexakis(iridium);3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide;1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;4-(4-methyl-1,2,4-triazol-3-yl)-3H-1,2-thiazol-3-ide;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole?

The InChIKey is PJCWITBORITBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N3.2C19H17N2.C18H14NS.C16H13N2.C13H8N3S.C9H8N3.C6H5N4S.6Ir.2Pt/c1-2-17-9-11-20(12-10-17)25-15-13-22(24-25)19-7-5-6-18(16-19)21-8-3-4-14-23-21;2*1-19(2)16-7-5-4-6-14(16)15-9-8-13(12-17(15)19)18-10-11-21(3)20-18;1-18(2)15-6-4-3-5-13(15)14-8-7-12(9-16(14)18)17-10-20-11-19-17;1-18-11-10-16(17-18)15-9-5-8-14(12-15)13-6-3-2-4-7-13;1-2-7-14-12(6-1)10-4-3-5-11(8-10)13-15-9-17-16-13;1-12-6-5-11-9(12)8-3-2-4-10-7-8;1-10-4-7-9-6(10)5-2-8-11-3-5;;;;;;;;/h2-6,8-16H,1H2;2*4-7,9-12H,1-3H3;3-6,8-11H,1-2H3;2-8,10-12H,1H3;1-4,6-9H;2,4-7H,1H3;3-4H,1H3;;;;;;;;/q8*-1;;;;;;;;.

What are the key properties of bis(3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylpyrazole);4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-thiazole;2-[3-[1-(4-ethenylphenyl)pyrazol-3-yl]benzene-4-id-1-yl]pyridine;hexakis(iridium);3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide;1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;4-(4-methyl-1,2,4-triazol-3-yl)-3H-1,2-thiazol-3-ide;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole?

bis(3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylpyrazole);4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-thiazole;2-[3-[1-(4-ethenylphenyl)pyrazol-3-yl]benzene-4-id-1-yl]pyridine;hexakis(iridium);3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide;1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;4-(4-methyl-1,2,4-triazol-3-yl)-3H-1,2-thiazol-3-ide;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole has a molecular weight of 3483.92 g/mol, XLogP of 26.97, 13 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylpyrazole);4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-thiazole;2-[3-[1-(4-ethenylphenyl)pyrazol-3-yl]benzene-4-id-1-yl]pyridine;hexakis(iridium);3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide;1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;4-(4-methyl-1,2,4-triazol-3-yl)-3H-1,2-thiazol-3-ide;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 160758914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).