2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazol-2-ium-1-ide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

C73H60F3Ir4N6O5PtS-5 — CID 158549362

About 2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazol-2-ium-1-ide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazol-2-ium-1-ide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (PubChem CID 158549362) has the molecular formula C73H60F3Ir4N6O5PtS-5 and a molecular weight of 2154.33 g/mol. Its IUPAC name is 2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazol-2-ium-1-ide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.

Molecular Properties

• Compound Name: 2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazol-2-ium-1-ide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
• PubChem CID: 158549362
• Molecular Formula: C73H60F3Ir4N6O5PtS-5
• Molecular Weight: 2154.33 g/mol
• Exact Mass: 2156.25
• IUPAC Name: 2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazol-2-ium-1-ide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC1(C)c2ccccc2-c2c[c-]c(-[n+]3ccc[n-]3)cc21.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2o1.[c-]1ccsc1-c1ccccn1
• InChI: InChI=1S/C18H15N2.C13H8NO.C12H7F3N.C11H8N.C9H6NS.2C5H8O2.4Ir.Pt/c1-18(2)16-7-4-3-6-14(16)15-9-8-13(12-17(15)18)20-11-5-10-19-20;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-6-10-8(4-1)9-5-3-7-11-9;2*1-4(6)3-5(2)7;;;;;/h3-7,9-12H,1-2H3;1-6,8-9H;1-4,6-8H;1-6,8-9H;1-4,6-7H;2*3,6H,1-2H3;;;;;/q5*-1
• InChIKey: JCHXTBSCPXVLTC-UHFFFAOYSA-N
• XLogP: 17.11
• TPSA: 157.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2154.33
LogP ≤ 5	17.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazol-2-ium-1-ide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

The IUPAC name of 2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazol-2-ium-1-ide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (CID 158549362) is 2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazol-2-ium-1-ide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.

What is the SMILES notation for 2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazol-2-ium-1-ide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

The canonical SMILES for 2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazol-2-ium-1-ide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC1(C)c2ccccc2-c2c[c-]c(-[n+]3ccc[n-]3)cc21.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2o1.[c-]1ccsc1-c1ccccn1.

What is the InChIKey of 2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazol-2-ium-1-ide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

The InChIKey is JCHXTBSCPXVLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N2.C13H8NO.C12H7F3N.C11H8N.C9H6NS.2C5H8O2.4Ir.Pt/c1-18(2)16-7-4-3-6-14(16)15-9-8-13(12-17(15)18)20-11-5-10-19-20;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-6-10-8(4-1)9-5-3-7-11-9;2*1-4(6)3-5(2)7;;;;;/h3-7,9-12H,1-2H3;1-6,8-9H;1-4,6-8H;1-6,8-9H;1-4,6-7H;2*3,6H,1-2H3;;;;;/q5*-1;;;;;;;.

What are the key properties of 2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazol-2-ium-1-ide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazol-2-ium-1-ide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine has a molecular weight of 2154.33 g/mol, XLogP of 17.11, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazol-2-ium-1-ide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 158549362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).