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;bis(iridium);platinum;2-[3-(2-thiophen-2-yltetrazol-5-yl)benzene-4-id-1-yl]pyridine

C51H39Ir2N10OPtS-3 — CID 158520579

About 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;bis(iridium);platinum;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;4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-oxazole;bis(iridium);platinum;2-[3-(2-thiophen-2-yltetrazol-5-yl)benzene-4-id-1-yl]pyridine (PubChem CID 158520579) has the molecular formula C51H39Ir2N10OPtS-3 and a molecular weight of 1419.52 g/mol. Its IUPAC name is 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;bis(iridium);platinum;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;4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-oxazole;bis(iridium);platinum;2-[3-(2-thiophen-2-yltetrazol-5-yl)benzene-4-id-1-yl]pyridine
• PubChem CID: 158520579
• Molecular Formula: C51H39Ir2N10OPtS-3
• Molecular Weight: 1419.52 g/mol
• Exact Mass: 1420.20
• IUPAC Name: 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;bis(iridium);platinum;2-[3-(2-thiophen-2-yltetrazol-5-yl)benzene-4-id-1-yl]pyridine
• SMILES: CC1(C)c2ccccc2-c2c[c-]c(-c3cocn3)cc21.Cn1nnc(-c2[c-]cc3c(c2)C(C)(C)c2ccccc2-3)n1.[Ir].[Ir].[Pt].[c-]1ccc(-c2ccccn2)cc1-c1nnn(-c2cccs2)n1
• InChI: InChI=1S/C18H14NO.C17H15N4.C16H10N5S.2Ir.Pt/c1-18(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;;;/h3-6,8-11H,1-2H3;4-7,9-10H,1-3H3;1-5,7-11H;;;/q3*-1
• InChIKey: DGGQPPSUUWABHF-UHFFFAOYSA-N
• XLogP: 10.68
• TPSA: 126.12 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 5
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1419.52
LogP ≤ 5	10.68
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 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;bis(iridium);platinum;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;4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-oxazole;bis(iridium);platinum;2-[3-(2-thiophen-2-yltetrazol-5-yl)benzene-4-id-1-yl]pyridine (CID 158520579) is 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;bis(iridium);platinum;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;4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-oxazole;bis(iridium);platinum;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;4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-oxazole;bis(iridium);platinum;2-[3-(2-thiophen-2-yltetrazol-5-yl)benzene-4-id-1-yl]pyridine is CC1(C)c2ccccc2-c2c[c-]c(-c3cocn3)cc21.Cn1nnc(-c2[c-]cc3c(c2)C(C)(C)c2ccccc2-3)n1.[Ir].[Ir].[Pt].[c-]1ccc(-c2ccccn2)cc1-c1nnn(-c2cccs2)n1.

What is the InChIKey of 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;bis(iridium);platinum;2-[3-(2-thiophen-2-yltetrazol-5-yl)benzene-4-id-1-yl]pyridine?

The InChIKey is DGGQPPSUUWABHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14NO.C17H15N4.C16H10N5S.2Ir.Pt/c1-18(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;;;/h3-6,8-11H,1-2H3;4-7,9-10H,1-3H3;1-5,7-11H;;;/q3*-1;;;.

What are the key properties of 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;bis(iridium);platinum;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;4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-oxazole;bis(iridium);platinum;2-[3-(2-thiophen-2-yltetrazol-5-yl)benzene-4-id-1-yl]pyridine has a molecular weight of 1419.52 g/mol, XLogP of 10.68, 5 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 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;bis(iridium);platinum;2-[3-(2-thiophen-2-yltetrazol-5-yl)benzene-4-id-1-yl]pyridine is sourced from PubChem (CID 158520579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).