3-(5-butan-2-yl-4-fluoro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;4-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;7-(3,3-dimethylbutyl)-3-(3H-naphthalen-3-id-2-yl)isoquinoline;N-(3-imino-6-methylhept-1-enyl)pyridin-2-amine;tris(iridium);platinum;1,1,1-trifluoro-4-hydroxypent-3-en-2-one

C75H81F6Ir3N7O2Pt-4 — CID 159555982

About 3-(5-butan-2-yl-4-fluoro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;4-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;7-(3,3-dimethylbutyl)-3-(3H-naphthalen-3-id-2-yl)isoquinoline;N-(3-imino-6-methylhept-1-enyl)pyridin-2-amine;tris(iridium);platinum;1,1,1-trifluoro-4-hydroxypent-3-en-2-one

3-(5-butan-2-yl-4-fluoro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;4-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;7-(3,3-dimethylbutyl)-3-(3H-naphthalen-3-id-2-yl)isoquinoline;N-(3-imino-6-methylhept-1-enyl)pyridin-2-amine;tris(iridium);platinum;1,1,1-trifluoro-4-hydroxypent-3-en-2-one (PubChem CID 159555982) has the molecular formula C75H81F6Ir3N7O2Pt-4 and a molecular weight of 1998.24 g/mol. Its IUPAC name is 3-(5-butan-2-yl-4-fluoro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;4-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;7-(3,3-dimethylbutyl)-3-(3H-naphthalen-3-id-2-yl)isoquinoline;N-(3-imino-6-methylhept-1-enyl)pyridin-2-amine;tris(iridium);platinum;1,1,1-trifluoro-4-hydroxypent-3-en-2-one.

Molecular Properties

• Compound Name: 3-(5-butan-2-yl-4-fluoro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;4-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;7-(3,3-dimethylbutyl)-3-(3H-naphthalen-3-id-2-yl)isoquinoline;N-(3-imino-6-methylhept-1-enyl)pyridin-2-amine;tris(iridium);platinum;1,1,1-trifluoro-4-hydroxypent-3-en-2-one
• PubChem CID: 159555982
• Molecular Formula: C75H81F6Ir3N7O2Pt-4
• Molecular Weight: 1998.24 g/mol
• Exact Mass: 1999.49
• IUPAC Name: 3-(5-butan-2-yl-4-fluoro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;4-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;7-(3,3-dimethylbutyl)-3-(3H-naphthalen-3-id-2-yl)isoquinoline;N-(3-imino-6-methylhept-1-enyl)pyridin-2-amine;tris(iridium);platinum;1,1,1-trifluoro-4-hydroxypent-3-en-2-one
• SMILES: CC(C)(C)CCc1ccc2cc(-c3[c-]cc4ccccc4c3)ncc2c1.CC(O)=CC(=O)C(F)(F)F.CCC(C)c1ccnc(C(C)(C)c2[c-]cccc2)c1.CCC(C)c1cnc(-c2[c-]cc(F)nc2F)cc1F.[H]/N=C(/C=[C-]/Nc1ccccn1)CCC(C)C.[Ir].[Ir].[Ir].[Pt]
• InChI: InChI=1S/C25H24N.C18H22N.C14H12F3N2.C13H18N3.C5H5F3O2.3Ir.Pt/c1-25(2,3)13-12-18-8-9-21-16-24(26-17-23(21)14-18)22-11-10-19-6-4-5-7-20(19)15-22;1-5-14(2)15-11-12-19-17(13-15)18(3,4)16-9-7-6-8-10-16;1-3-8(2)10-7-18-12(6-11(10)15)9-4-5-13(16)19-14(9)17;1-11(2)6-7-12(14)8-10-16-13-5-3-4-9-15-13;1-3(9)2-4(10)5(6,7)8;;;;/h4-10,14-17H,12-13H2,1-3H3;6-9,11-14H,5H2,1-4H3;5-8H,3H2,1-2H3;3-5,8-9,11,14H,6-7H2,1-2H3,(H,15,16);2,9H,1H3;;;;/q4*-1;;;;;/b;;;14-12+
• InChIKey: NQLKPGILBFCCOQ-AHRRBEMFSA-N
• XLogP: 20.27
• TPSA: 137.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1998.24
LogP ≤ 5	20.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(5-butan-2-yl-4-fluoro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;4-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;7-(3,3-dimethylbutyl)-3-(3H-naphthalen-3-id-2-yl)isoquinoline;N-(3-imino-6-methylhept-1-enyl)pyridin-2-amine;tris(iridium);platinum;1,1,1-trifluoro-4-hydroxypent-3-en-2-one?

The IUPAC name of 3-(5-butan-2-yl-4-fluoro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;4-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;7-(3,3-dimethylbutyl)-3-(3H-naphthalen-3-id-2-yl)isoquinoline;N-(3-imino-6-methylhept-1-enyl)pyridin-2-amine;tris(iridium);platinum;1,1,1-trifluoro-4-hydroxypent-3-en-2-one (CID 159555982) is 3-(5-butan-2-yl-4-fluoro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;4-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;7-(3,3-dimethylbutyl)-3-(3H-naphthalen-3-id-2-yl)isoquinoline;N-(3-imino-6-methylhept-1-enyl)pyridin-2-amine;tris(iridium);platinum;1,1,1-trifluoro-4-hydroxypent-3-en-2-one.

What is the SMILES notation for 3-(5-butan-2-yl-4-fluoro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;4-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;7-(3,3-dimethylbutyl)-3-(3H-naphthalen-3-id-2-yl)isoquinoline;N-(3-imino-6-methylhept-1-enyl)pyridin-2-amine;tris(iridium);platinum;1,1,1-trifluoro-4-hydroxypent-3-en-2-one?

The canonical SMILES for 3-(5-butan-2-yl-4-fluoro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;4-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;7-(3,3-dimethylbutyl)-3-(3H-naphthalen-3-id-2-yl)isoquinoline;N-(3-imino-6-methylhept-1-enyl)pyridin-2-amine;tris(iridium);platinum;1,1,1-trifluoro-4-hydroxypent-3-en-2-one is CC(C)(C)CCc1ccc2cc(-c3[c-]cc4ccccc4c3)ncc2c1.CC(O)=CC(=O)C(F)(F)F.CCC(C)c1ccnc(C(C)(C)c2[c-]cccc2)c1.CCC(C)c1cnc(-c2[c-]cc(F)nc2F)cc1F.[H]/N=C(/C=[C-]/Nc1ccccn1)CCC(C)C.[Ir].[Ir].[Ir].[Pt].

What is the InChIKey of 3-(5-butan-2-yl-4-fluoro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;4-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;7-(3,3-dimethylbutyl)-3-(3H-naphthalen-3-id-2-yl)isoquinoline;N-(3-imino-6-methylhept-1-enyl)pyridin-2-amine;tris(iridium);platinum;1,1,1-trifluoro-4-hydroxypent-3-en-2-one?

The InChIKey is NQLKPGILBFCCOQ-AHRRBEMFSA-N. The full InChI is InChI=1S/C25H24N.C18H22N.C14H12F3N2.C13H18N3.C5H5F3O2.3Ir.Pt/c1-25(2,3)13-12-18-8-9-21-16-24(26-17-23(21)14-18)22-11-10-19-6-4-5-7-20(19)15-22;1-5-14(2)15-11-12-19-17(13-15)18(3,4)16-9-7-6-8-10-16;1-3-8(2)10-7-18-12(6-11(10)15)9-4-5-13(16)19-14(9)17;1-11(2)6-7-12(14)8-10-16-13-5-3-4-9-15-13;1-3(9)2-4(10)5(6,7)8;;;;/h4-10,14-17H,12-13H2,1-3H3;6-9,11-14H,5H2,1-4H3;5-8H,3H2,1-2H3;3-5,8-9,11,14H,6-7H2,1-2H3,(H,15,16);2,9H,1H3;;;;/q4*-1;;;;;/b;;;14-12+;;;;;.

What are the key properties of 3-(5-butan-2-yl-4-fluoro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;4-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;7-(3,3-dimethylbutyl)-3-(3H-naphthalen-3-id-2-yl)isoquinoline;N-(3-imino-6-methylhept-1-enyl)pyridin-2-amine;tris(iridium);platinum;1,1,1-trifluoro-4-hydroxypent-3-en-2-one?

3-(5-butan-2-yl-4-fluoro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;4-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;7-(3,3-dimethylbutyl)-3-(3H-naphthalen-3-id-2-yl)isoquinoline;N-(3-imino-6-methylhept-1-enyl)pyridin-2-amine;tris(iridium);platinum;1,1,1-trifluoro-4-hydroxypent-3-en-2-one has a molecular weight of 1998.24 g/mol, XLogP of 20.27, 17 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-butan-2-yl-4-fluoro-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide;4-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;7-(3,3-dimethylbutyl)-3-(3H-naphthalen-3-id-2-yl)isoquinoline;N-(3-imino-6-methylhept-1-enyl)pyridin-2-amine;tris(iridium);platinum;1,1,1-trifluoro-4-hydroxypent-3-en-2-one is sourced from PubChem (CID 159555982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).