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;tetrakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;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

C80H61Ir4N10OPtS2-5 — CID 160681292

IUPAC3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylpyrazole;4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-thiazole;tetrakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;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
SMILESCC1(C)c2ccccc2-c2c[c-]c(-c3cscn3)cc21.Cn1ccc(-c2[c-]cc3c(c2)C(C)(C)c2ccccc2-3)n1.Cn1ccc(-c2[c-]ccc(-c3ccccc3)c2)n1.[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1ccc(-c2ccccc2)cc1-c1ncon1.[c-]1ccc(-c2ccccn2)cc1-c1ncsn1
InChIInChI=1S/C19H17N2.C18H14NS.C16H13N2.C14H9N2O.C13H8N3S.4Ir.Pt/c1-19(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;1-2-5-11(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;;;;;/h4-7,9-12H,1-3H3;3-6,8-11H,1-2H3;2-8,10-12H,1H3;1-7,9-10H;1-4,6-9H;;;;;/q5*-1;;;;;
InChIKeyFCZQIJUBLZTBFC-UHFFFAOYSA-N
MW2206.52 g/mol
LogP18.92
Rot. Bonds8

About 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;tetrakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;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

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;tetrakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;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 160681292) has the molecular formula C80H61Ir4N10OPtS2-5 and a molecular weight of 2206.52 g/mol. Its IUPAC name is 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;tetrakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;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 Name3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylpyrazole;4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-thiazole;tetrakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;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 CID160681292
Molecular FormulaC80H61Ir4N10OPtS2-5
Molecular Weight2206.52 g/mol
Exact Mass2208.27
IUPAC Name3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylpyrazole;4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-thiazole;tetrakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;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
SMILESCC1(C)c2ccccc2-c2c[c-]c(-c3cscn3)cc21.Cn1ccc(-c2[c-]cc3c(c2)C(C)(C)c2ccccc2-3)n1.Cn1ccc(-c2[c-]ccc(-c3ccccc3)c2)n1.[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1ccc(-c2ccccc2)cc1-c1ncon1.[c-]1ccc(-c2ccccn2)cc1-c1ncsn1
InChIInChI=1S/C19H17N2.C18H14NS.C16H13N2.C14H9N2O.C13H8N3S.4Ir.Pt/c1-19(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;1-2-5-11(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;;;;;/h4-7,9-12H,1-3H3;3-6,8-11H,1-2H3;2-8,10-12H,1H3;1-7,9-10H;1-4,6-9H;;;;;/q5*-1;;;;;
InChIKeyFCZQIJUBLZTBFC-UHFFFAOYSA-N
XLogP18.92
TPSA126.12 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002206.52
LogP ≤ 518.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 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;tetrakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;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 with MolForge

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Related Compounds

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-oxazole;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);1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;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 157706223
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
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;pentakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;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 160864746
5-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-2-methyltetrazole;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 161768781
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;tris(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;platinum
CID 161805698
3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylpyrazole;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;tetrakis(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 162188919

Frequently Asked Questions

What is the IUPAC name of 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;tetrakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;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 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;tetrakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;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 160681292) is 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;tetrakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;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 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;tetrakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;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 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;tetrakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;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(-c3cscn3)cc21.Cn1ccc(-c2[c-]cc3c(c2)C(C)(C)c2ccccc2-3)n1.Cn1ccc(-c2[c-]ccc(-c3ccccc3)c2)n1.[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1ccc(-c2ccccc2)cc1-c1ncon1.[c-]1ccc(-c2ccccn2)cc1-c1ncsn1.
What is the InChIKey of 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;tetrakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;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 FCZQIJUBLZTBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N2.C18H14NS.C16H13N2.C14H9N2O.C13H8N3S.4Ir.Pt/c1-19(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;1-2-5-11(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;;;;;/h4-7,9-12H,1-3H3;3-6,8-11H,1-2H3;2-8,10-12H,1H3;1-7,9-10H;1-4,6-9H;;;;;/q5*-1;;;;;.
What are the key properties of 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;tetrakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;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?
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;tetrakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;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 2206.52 g/mol, XLogP of 18.92, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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;tetrakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;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 160681292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).