5-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-2-methyltetrazole;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyltriazol-1-ium;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;hexakis(iridium);3-(3-phenylbenzene-6-id-1-yl)-1,2,4-oxadiazole;1-phenyl-3-(3-phenylbenzene-6-id-1-yl)triazol-3-ium;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole;2-[3-(2-thiophen-2-yltetrazol-5-yl)benzene-4-id-1-yl]pyridine

C134H102Ir6N22O2Pt2S3-6 — CID 158617825

About 5-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-2-methyltetrazole;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyltriazol-1-ium;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;hexakis(iridium);3-(3-phenylbenzene-6-id-1-yl)-1,2,4-oxadiazole;1-phenyl-3-(3-phenylbenzene-6-id-1-yl)triazol-3-ium;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole;2-[3-(2-thiophen-2-yltetrazol-5-yl)benzene-4-id-1-yl]pyridine

5-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-2-methyltetrazole;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyltriazol-1-ium;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;hexakis(iridium);3-(3-phenylbenzene-6-id-1-yl)-1,2,4-oxadiazole;1-phenyl-3-(3-phenylbenzene-6-id-1-yl)triazol-3-ium;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole;2-[3-(2-thiophen-2-yltetrazol-5-yl)benzene-4-id-1-yl]pyridine (PubChem CID 158617825) has the molecular formula C134H102Ir6N22O2Pt2S3-6 and a molecular weight of 3692.10 g/mol. Its IUPAC name is 5-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-2-methyltetrazole;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyltriazol-1-ium;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;hexakis(iridium);3-(3-phenylbenzene-6-id-1-yl)-1,2,4-oxadiazole;1-phenyl-3-(3-phenylbenzene-6-id-1-yl)triazol-3-ium;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole;2-[3-(2-thiophen-2-yltetrazol-5-yl)benzene-4-id-1-yl]pyridine.

Molecular Properties

• Compound Name: 5-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-2-methyltetrazole;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyltriazol-1-ium;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;hexakis(iridium);3-(3-phenylbenzene-6-id-1-yl)-1,2,4-oxadiazole;1-phenyl-3-(3-phenylbenzene-6-id-1-yl)triazol-3-ium;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole;2-[3-(2-thiophen-2-yltetrazol-5-yl)benzene-4-id-1-yl]pyridine
• PubChem CID: 158617825
• Molecular Formula: C134H102Ir6N22O2Pt2S3-6
• Molecular Weight: 3692.10 g/mol
• Exact Mass: 3694.48
• IUPAC Name: 5-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-2-methyltetrazole;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyltriazol-1-ium;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;hexakis(iridium);3-(3-phenylbenzene-6-id-1-yl)-1,2,4-oxadiazole;1-phenyl-3-(3-phenylbenzene-6-id-1-yl)triazol-3-ium;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole;2-[3-(2-thiophen-2-yltetrazol-5-yl)benzene-4-id-1-yl]pyridine
• SMILES: CC1(C)c2ccccc2-c2c[c-]c(-c3cocn3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3cscn3)cc21.Cn1cc[n+](-c2[c-]cc3c(c2)C(C)(C)c2ccccc2-3)n1.Cn1nnc(-c2[c-]cc3c(c2)C(C)(C)c2ccccc2-3)n1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[Pt].[c-]1ccc(-c2ccccc2)cc1-[n+]1ccn(-c2ccccc2)n1.[c-]1ccc(-c2ccccc2)cc1-c1ncon1.[c-]1ccc(-c2ccccn2)cc1-c1ncsn1.[c-]1ccc(-c2ccccn2)cc1-c1nnn(-c2cccs2)n1
• InChI: InChI=1S/C20H15N3.C18H17N3.C18H14NO.C18H14NS.C17H15N4.C16H10N5S.C14H9N2O.C13H8N3S.6Ir.2Pt/c1-3-8-17(9-4-1)18-10-7-13-20(16-18)23-15-14-22(21-23)19-11-5-2-6-12-19;1-18(2)16-7-5-4-6-14(16)15-9-8-13(12-17(15)18)21-11-10-20(3)19-21;2*1-18(2)15-6-4-3-5-13(15)14-8-7-12(9-16(14)18)17-10-20-11-19-17;1-17(2)14-7-5-4-6-12(14)13-9-8-11(10-15(13)17)16-18-20-21(3)19-16;1-2-9-17-14(7-1)12-5-3-6-13(11-12)16-18-20-21(19-16)15-8-4-10-22-15;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;;;;;;;;/h1-12,14-16H;4-7,9-12H,1-3H3;2*3-6,8-11H,1-2H3;4-7,9-10H,1-3H3;1-5,7-11H;1-7,9-10H;1-4,6-9H;;;;;;;;/q;;6*-1
• InChIKey: URIRSHNHXDEDPJ-UHFFFAOYSA-N
• XLogP: 28.27
• TPSA: 260.00 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 14
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3692.10
LogP ≤ 5	28.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-2-methyltetrazole;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyltriazol-1-ium;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;hexakis(iridium);3-(3-phenylbenzene-6-id-1-yl)-1,2,4-oxadiazole;1-phenyl-3-(3-phenylbenzene-6-id-1-yl)triazol-3-ium;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole;2-[3-(2-thiophen-2-yltetrazol-5-yl)benzene-4-id-1-yl]pyridine?

The IUPAC name of 5-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-2-methyltetrazole;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyltriazol-1-ium;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;hexakis(iridium);3-(3-phenylbenzene-6-id-1-yl)-1,2,4-oxadiazole;1-phenyl-3-(3-phenylbenzene-6-id-1-yl)triazol-3-ium;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole;2-[3-(2-thiophen-2-yltetrazol-5-yl)benzene-4-id-1-yl]pyridine (CID 158617825) is 5-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-2-methyltetrazole;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyltriazol-1-ium;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;hexakis(iridium);3-(3-phenylbenzene-6-id-1-yl)-1,2,4-oxadiazole;1-phenyl-3-(3-phenylbenzene-6-id-1-yl)triazol-3-ium;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole;2-[3-(2-thiophen-2-yltetrazol-5-yl)benzene-4-id-1-yl]pyridine.

What is the SMILES notation for 5-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-2-methyltetrazole;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyltriazol-1-ium;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;hexakis(iridium);3-(3-phenylbenzene-6-id-1-yl)-1,2,4-oxadiazole;1-phenyl-3-(3-phenylbenzene-6-id-1-yl)triazol-3-ium;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole;2-[3-(2-thiophen-2-yltetrazol-5-yl)benzene-4-id-1-yl]pyridine?

The canonical SMILES for 5-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-2-methyltetrazole;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyltriazol-1-ium;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;hexakis(iridium);3-(3-phenylbenzene-6-id-1-yl)-1,2,4-oxadiazole;1-phenyl-3-(3-phenylbenzene-6-id-1-yl)triazol-3-ium;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole;2-[3-(2-thiophen-2-yltetrazol-5-yl)benzene-4-id-1-yl]pyridine is CC1(C)c2ccccc2-c2c[c-]c(-c3cocn3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3cscn3)cc21.Cn1cc[n+](-c2[c-]cc3c(c2)C(C)(C)c2ccccc2-3)n1.Cn1nnc(-c2[c-]cc3c(c2)C(C)(C)c2ccccc2-3)n1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[Pt].[c-]1ccc(-c2ccccc2)cc1-[n+]1ccn(-c2ccccc2)n1.[c-]1ccc(-c2ccccc2)cc1-c1ncon1.[c-]1ccc(-c2ccccn2)cc1-c1ncsn1.[c-]1ccc(-c2ccccn2)cc1-c1nnn(-c2cccs2)n1.

What is the InChIKey of 5-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-2-methyltetrazole;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyltriazol-1-ium;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;hexakis(iridium);3-(3-phenylbenzene-6-id-1-yl)-1,2,4-oxadiazole;1-phenyl-3-(3-phenylbenzene-6-id-1-yl)triazol-3-ium;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole;2-[3-(2-thiophen-2-yltetrazol-5-yl)benzene-4-id-1-yl]pyridine?

The InChIKey is URIRSHNHXDEDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3.C18H17N3.C18H14NO.C18H14NS.C17H15N4.C16H10N5S.C14H9N2O.C13H8N3S.6Ir.2Pt/c1-3-8-17(9-4-1)18-10-7-13-20(16-18)23-15-14-22(21-23)19-11-5-2-6-12-19;1-18(2)16-7-5-4-6-14(16)15-9-8-13(12-17(15)18)21-11-10-20(3)19-21;2*1-18(2)15-6-4-3-5-13(15)14-8-7-12(9-16(14)18)17-10-20-11-19-17;1-17(2)14-7-5-4-6-12(14)13-9-8-11(10-15(13)17)16-18-20-21(3)19-16;1-2-9-17-14(7-1)12-5-3-6-13(11-12)16-18-20-21(19-16)15-8-4-10-22-15;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;;;;;;;;/h1-12,14-16H;4-7,9-12H,1-3H3;2*3-6,8-11H,1-2H3;4-7,9-10H,1-3H3;1-5,7-11H;1-7,9-10H;1-4,6-9H;;;;;;;;/q;;6*-1;;;;;;;;.

What are the key properties of 5-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-2-methyltetrazole;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyltriazol-1-ium;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;hexakis(iridium);3-(3-phenylbenzene-6-id-1-yl)-1,2,4-oxadiazole;1-phenyl-3-(3-phenylbenzene-6-id-1-yl)triazol-3-ium;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole;2-[3-(2-thiophen-2-yltetrazol-5-yl)benzene-4-id-1-yl]pyridine?

5-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-2-methyltetrazole;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyltriazol-1-ium;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;hexakis(iridium);3-(3-phenylbenzene-6-id-1-yl)-1,2,4-oxadiazole;1-phenyl-3-(3-phenylbenzene-6-id-1-yl)triazol-3-ium;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole;2-[3-(2-thiophen-2-yltetrazol-5-yl)benzene-4-id-1-yl]pyridine has a molecular weight of 3692.10 g/mol, XLogP of 28.27, 14 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-2-methyltetrazole;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyltriazol-1-ium;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;hexakis(iridium);3-(3-phenylbenzene-6-id-1-yl)-1,2,4-oxadiazole;1-phenyl-3-(3-phenylbenzene-6-id-1-yl)triazol-3-ium;platinum;3-(3-pyridin-2-ylbenzene-6-id-1-yl)-1,2,4-thiadiazole;2-[3-(2-thiophen-2-yltetrazol-5-yl)benzene-4-id-1-yl]pyridine is sourced from PubChem (CID 158617825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).