2-[3-[2',3'-bis(penta-1,3-diynoxy)-6',7'-bis(penta-2,4-diynoxy)-9,9'-spirobi[fluorene]-3-yl]benzene-6-id-1-yl]pyridine;2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;iridium;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tris(platinum(2+))

C171H108F2IrN9O4Pt3- — CID 157136180

About 2-[3-[2',3'-bis(penta-1,3-diynoxy)-6',7'-bis(penta-2,4-diynoxy)-9,9'-spirobi[fluorene]-3-yl]benzene-6-id-1-yl]pyridine;2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;iridium;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tris(platinum(2+))

2-[3-[2',3'-bis(penta-1,3-diynoxy)-6',7'-bis(penta-2,4-diynoxy)-9,9'-spirobi[fluorene]-3-yl]benzene-6-id-1-yl]pyridine;2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;iridium;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tris(platinum(2+)) (PubChem CID 157136180) has the molecular formula C171H108F2IrN9O4Pt3- and a molecular weight of 3168.25 g/mol. Its IUPAC name is 2-[3-[2',3'-bis(penta-1,3-diynoxy)-6',7'-bis(penta-2,4-diynoxy)-9,9'-spirobi[fluorene]-3-yl]benzene-6-id-1-yl]pyridine;2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;iridium;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tris(platinum(2+)).

Molecular Properties

• Compound Name: 2-[3-[2',3'-bis(penta-1,3-diynoxy)-6',7'-bis(penta-2,4-diynoxy)-9,9'-spirobi[fluorene]-3-yl]benzene-6-id-1-yl]pyridine;2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;iridium;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tris(platinum(2+))
• PubChem CID: 157136180
• Molecular Formula: C171H108F2IrN9O4Pt3-
• Molecular Weight: 3168.25 g/mol
• Exact Mass: 3166.71
• IUPAC Name: 2-[3-[2',3'-bis(penta-1,3-diynoxy)-6',7'-bis(penta-2,4-diynoxy)-9,9'-spirobi[fluorene]-3-yl]benzene-6-id-1-yl]pyridine;2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;iridium;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tris(platinum(2+))
• SMILES: C#CC#CCOc1cc2c(cc1OCC#CC#C)C1(c3ccccc3-c3cc(-c4cc[c-]c(-c5ccccn5)c4)ccc31)c1cc(OC#CC#CC)c(OC#CC#CC)cc1-2.CC(C)(C)c1ccc2c(c1)C(c1cccc(-c3[c-]cccc3)n1)(c1cccc(-c3[c-]cccc3)n1)c1cc(C(C)(C)C)ccc1-2.[C-]#[N+]c1cc(-c2cccc(C3(c4cccc(-c5[c-]cc(F)c(C#N)c5)n4)c4ccccc4-c4ccccc43)n2)[c-]cc1F.[Ir].[Pt+2].[Pt+2].[Pt+2].[c-]1ccccc1-c1cccc(C2(c3cccc(-c4[c-]cccc4)n3)c3ccccc3-c3ccccc32)n1
• InChI: InChI=1S/C56H30NO4.C43H38N2.C37H18F2N4.C35H22N2.Ir.3Pt/c1-5-9-17-30-58-52-36-45-46-37-53(59-31-18-10-6-2)55(61-33-20-12-8-4)39-50(46)56(49(45)38-54(52)60-32-19-11-7-3)47-25-14-13-24-43(47)44-35-41(27-28-48(44)56)40-22-21-23-42(34-40)51-26-15-16-29-57-51;1-41(2,3)31-23-25-33-34-26-24-32(42(4,5)6)28-36(34)43(35(33)27-31,39-21-13-19-37(44-39)29-15-9-7-10-16-29)40-22-14-20-38(45-40)30-17-11-8-12-18-30;1-41-34-21-24(17-19-31(34)39)33-13-7-15-36(43-33)37(28-10-4-2-8-26(28)27-9-3-5-11-29(27)37)35-14-6-12-32(42-35)23-16-18-30(38)25(20-23)22-40;1-3-13-25(14-4-1)31-21-11-23-33(36-31)35(34-24-12-22-32(37-34)26-15-5-2-6-16-26)29-19-9-7-17-27(29)28-18-8-10-20-30(28)35;;;;/h1,3,13-16,21-22,24-29,34-39H,30,32H2,2,4H3;7-15,17,19-28H,1-6H3;2-15,18-21H;1-13,15,17-24H;;;;/q-1;3*-2;;3*+2
• InChIKey: AMYYKUBUOXABPO-UHFFFAOYSA-N
• XLogP: 35.92
• TPSA: 155.30 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 20
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3168.25
LogP ≤ 5	35.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2',3'-bis(penta-1,3-diynoxy)-6',7'-bis(penta-2,4-diynoxy)-9,9'-spirobi[fluorene]-3-yl]benzene-6-id-1-yl]pyridine;2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;iridium;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tris(platinum(2+))?

The IUPAC name of 2-[3-[2',3'-bis(penta-1,3-diynoxy)-6',7'-bis(penta-2,4-diynoxy)-9,9'-spirobi[fluorene]-3-yl]benzene-6-id-1-yl]pyridine;2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;iridium;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tris(platinum(2+)) (CID 157136180) is 2-[3-[2',3'-bis(penta-1,3-diynoxy)-6',7'-bis(penta-2,4-diynoxy)-9,9'-spirobi[fluorene]-3-yl]benzene-6-id-1-yl]pyridine;2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;iridium;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tris(platinum(2+)).

What is the SMILES notation for 2-[3-[2',3'-bis(penta-1,3-diynoxy)-6',7'-bis(penta-2,4-diynoxy)-9,9'-spirobi[fluorene]-3-yl]benzene-6-id-1-yl]pyridine;2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;iridium;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tris(platinum(2+))?

The canonical SMILES for 2-[3-[2',3'-bis(penta-1,3-diynoxy)-6',7'-bis(penta-2,4-diynoxy)-9,9'-spirobi[fluorene]-3-yl]benzene-6-id-1-yl]pyridine;2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;iridium;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tris(platinum(2+)) is C#CC#CCOc1cc2c(cc1OCC#CC#C)C1(c3ccccc3-c3cc(-c4cc[c-]c(-c5ccccn5)c4)ccc31)c1cc(OC#CC#CC)c(OC#CC#CC)cc1-2.CC(C)(C)c1ccc2c(c1)C(c1cccc(-c3[c-]cccc3)n1)(c1cccc(-c3[c-]cccc3)n1)c1cc(C(C)(C)C)ccc1-2.[C-]#[N+]c1cc(-c2cccc(C3(c4cccc(-c5[c-]cc(F)c(C#N)c5)n4)c4ccccc4-c4ccccc43)n2)[c-]cc1F.[Ir].[Pt+2].[Pt+2].[Pt+2].[c-]1ccccc1-c1cccc(C2(c3cccc(-c4[c-]cccc4)n3)c3ccccc3-c3ccccc32)n1.

What is the InChIKey of 2-[3-[2',3'-bis(penta-1,3-diynoxy)-6',7'-bis(penta-2,4-diynoxy)-9,9'-spirobi[fluorene]-3-yl]benzene-6-id-1-yl]pyridine;2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;iridium;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tris(platinum(2+))?

The InChIKey is AMYYKUBUOXABPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H30NO4.C43H38N2.C37H18F2N4.C35H22N2.Ir.3Pt/c1-5-9-17-30-58-52-36-45-46-37-53(59-31-18-10-6-2)55(61-33-20-12-8-4)39-50(46)56(49(45)38-54(52)60-32-19-11-7-3)47-25-14-13-24-43(47)44-35-41(27-28-48(44)56)40-22-21-23-42(34-40)51-26-15-16-29-57-51;1-41(2,3)31-23-25-33-34-26-24-32(42(4,5)6)28-36(34)43(35(33)27-31,39-21-13-19-37(44-39)29-15-9-7-10-16-29)40-22-14-20-38(45-40)30-17-11-8-12-18-30;1-41-34-21-24(17-19-31(34)39)33-13-7-15-36(43-33)37(28-10-4-2-8-26(28)27-9-3-5-11-29(27)37)35-14-6-12-32(42-35)23-16-18-30(38)25(20-23)22-40;1-3-13-25(14-4-1)31-21-11-23-33(36-31)35(34-24-12-22-32(37-34)26-15-5-2-6-16-26)29-19-9-7-17-27(29)28-18-8-10-20-30(28)35;;;;/h1,3,13-16,21-22,24-29,34-39H,30,32H2,2,4H3;7-15,17,19-28H,1-6H3;2-15,18-21H;1-13,15,17-24H;;;;/q-1;3*-2;;3*+2.

What are the key properties of 2-[3-[2',3'-bis(penta-1,3-diynoxy)-6',7'-bis(penta-2,4-diynoxy)-9,9'-spirobi[fluorene]-3-yl]benzene-6-id-1-yl]pyridine;2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;iridium;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tris(platinum(2+))?

2-[3-[2',3'-bis(penta-1,3-diynoxy)-6',7'-bis(penta-2,4-diynoxy)-9,9'-spirobi[fluorene]-3-yl]benzene-6-id-1-yl]pyridine;2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;iridium;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tris(platinum(2+)) has a molecular weight of 3168.25 g/mol, XLogP of 35.92, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2',3'-bis(penta-1,3-diynoxy)-6',7'-bis(penta-2,4-diynoxy)-9,9'-spirobi[fluorene]-3-yl]benzene-6-id-1-yl]pyridine;2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;iridium;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tris(platinum(2+)) is sourced from PubChem (CID 157136180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).