2',7'-bis(2-methylbutoxy)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];2',7'-bis(trifluoromethyl)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];2',7'-difluorospiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];tetrakis(iridium);2'-(2-methylbutyl)-7'-pentan-2-ylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]

C118H92F8Ir4N4O2-4 — CID 158071499

About 2',7'-bis(2-methylbutoxy)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];2',7'-bis(trifluoromethyl)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];2',7'-difluorospiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];tetrakis(iridium);2'-(2-methylbutyl)-7'-pentan-2-ylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]

2',7'-bis(2-methylbutoxy)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];2',7'-bis(trifluoromethyl)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];2',7'-difluorospiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];tetrakis(iridium);2'-(2-methylbutyl)-7'-pentan-2-ylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene] (PubChem CID 158071499) has the molecular formula C118H92F8Ir4N4O2-4 and a molecular weight of 2518.91 g/mol. Its IUPAC name is 2',7'-bis(2-methylbutoxy)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];2',7'-bis(trifluoromethyl)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];2',7'-difluorospiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];tetrakis(iridium);2'-(2-methylbutyl)-7'-pentan-2-ylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene].

Molecular Properties

• Compound Name: 2',7'-bis(2-methylbutoxy)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];2',7'-bis(trifluoromethyl)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];2',7'-difluorospiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];tetrakis(iridium);2'-(2-methylbutyl)-7'-pentan-2-ylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]
• PubChem CID: 158071499
• Molecular Formula: C118H92F8Ir4N4O2-4
• Molecular Weight: 2518.91 g/mol
• Exact Mass: 2520.56
• IUPAC Name: 2',7'-bis(2-methylbutoxy)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];2',7'-bis(trifluoromethyl)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];2',7'-difluorospiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];tetrakis(iridium);2'-(2-methylbutyl)-7'-pentan-2-ylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]
• SMILES: CCC(C)COc1ccc2c(c1)C1(c3ccc[c-]c3-c3ncccc31)c1cc(OCC(C)CC)ccc1-2.CCCC(C)c1ccc2c(c1)C1(c3ccc[c-]c3-c3ncccc31)c1cc(CC(C)CC)ccc1-2.FC(F)(F)c1ccc2c(c1)C1(c3ccc[c-]c3-c3ncccc31)c1cc(C(F)(F)F)ccc1-2.Fc1ccc2c(c1)C1(c3ccc[c-]c3-c3ncccc31)c1cc(F)ccc1-2.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C34H34NO2.C34H34N.C26H12F6N.C24H12F2N.4Ir/c1-5-22(3)20-36-24-13-15-26-27-16-14-25(37-21-23(4)6-2)19-32(27)34(31(26)18-24)29-11-8-7-10-28(29)33-30(34)12-9-17-35-33;1-5-10-23(4)25-15-17-27-26-16-14-24(19-22(3)6-2)20-31(26)34(32(27)21-25)29-12-8-7-11-28(29)33-30(34)13-9-18-35-33;27-25(28,29)14-7-9-16-17-10-8-15(26(30,31)32)13-22(17)24(21(16)12-14)19-5-2-1-4-18(19)23-20(24)6-3-11-33-23;25-14-7-9-16-17-10-8-15(26)13-22(17)24(21(16)12-14)19-5-2-1-4-18(19)23-20(24)6-3-11-27-23;;;;/h7-9,11-19,22-23H,5-6,20-21H2,1-4H3;7-9,12-18,20-23H,5-6,10,19H2,1-4H3;1-3,5-13H;1-3,5-13H;;;;/q4*-1
• InChIKey: VRXJHAWNSGQGAQ-UHFFFAOYSA-N
• XLogP: 29.55
• TPSA: 70.02 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2518.91
LogP ≤ 5	29.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2',7'-bis(2-methylbutoxy)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];2',7'-bis(trifluoromethyl)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];2',7'-difluorospiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];tetrakis(iridium);2'-(2-methylbutyl)-7'-pentan-2-ylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]?

The IUPAC name of 2',7'-bis(2-methylbutoxy)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];2',7'-bis(trifluoromethyl)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];2',7'-difluorospiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];tetrakis(iridium);2'-(2-methylbutyl)-7'-pentan-2-ylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene] (CID 158071499) is 2',7'-bis(2-methylbutoxy)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];2',7'-bis(trifluoromethyl)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];2',7'-difluorospiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];tetrakis(iridium);2'-(2-methylbutyl)-7'-pentan-2-ylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene].

What is the SMILES notation for 2',7'-bis(2-methylbutoxy)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];2',7'-bis(trifluoromethyl)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];2',7'-difluorospiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];tetrakis(iridium);2'-(2-methylbutyl)-7'-pentan-2-ylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]?

The canonical SMILES for 2',7'-bis(2-methylbutoxy)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];2',7'-bis(trifluoromethyl)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];2',7'-difluorospiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];tetrakis(iridium);2'-(2-methylbutyl)-7'-pentan-2-ylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene] is CCC(C)COc1ccc2c(c1)C1(c3ccc[c-]c3-c3ncccc31)c1cc(OCC(C)CC)ccc1-2.CCCC(C)c1ccc2c(c1)C1(c3ccc[c-]c3-c3ncccc31)c1cc(CC(C)CC)ccc1-2.FC(F)(F)c1ccc2c(c1)C1(c3ccc[c-]c3-c3ncccc31)c1cc(C(F)(F)F)ccc1-2.Fc1ccc2c(c1)C1(c3ccc[c-]c3-c3ncccc31)c1cc(F)ccc1-2.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2',7'-bis(2-methylbutoxy)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];2',7'-bis(trifluoromethyl)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];2',7'-difluorospiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];tetrakis(iridium);2'-(2-methylbutyl)-7'-pentan-2-ylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]?

The InChIKey is VRXJHAWNSGQGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34NO2.C34H34N.C26H12F6N.C24H12F2N.4Ir/c1-5-22(3)20-36-24-13-15-26-27-16-14-25(37-21-23(4)6-2)19-32(27)34(31(26)18-24)29-11-8-7-10-28(29)33-30(34)12-9-17-35-33;1-5-10-23(4)25-15-17-27-26-16-14-24(19-22(3)6-2)20-31(26)34(32(27)21-25)29-12-8-7-11-28(29)33-30(34)13-9-18-35-33;27-25(28,29)14-7-9-16-17-10-8-15(26(30,31)32)13-22(17)24(21(16)12-14)19-5-2-1-4-18(19)23-20(24)6-3-11-33-23;25-14-7-9-16-17-10-8-15(26)13-22(17)24(21(16)12-14)19-5-2-1-4-18(19)23-20(24)6-3-11-27-23;;;;/h7-9,11-19,22-23H,5-6,20-21H2,1-4H3;7-9,12-18,20-23H,5-6,10,19H2,1-4H3;1-3,5-13H;1-3,5-13H;;;;/q4*-1;;;;.

What are the key properties of 2',7'-bis(2-methylbutoxy)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];2',7'-bis(trifluoromethyl)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];2',7'-difluorospiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];tetrakis(iridium);2'-(2-methylbutyl)-7'-pentan-2-ylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]?

2',7'-bis(2-methylbutoxy)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];2',7'-bis(trifluoromethyl)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];2',7'-difluorospiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];tetrakis(iridium);2'-(2-methylbutyl)-7'-pentan-2-ylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene] has a molecular weight of 2518.91 g/mol, XLogP of 29.55, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2',7'-bis(2-methylbutoxy)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];2',7'-bis(trifluoromethyl)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];2',7'-difluorospiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];tetrakis(iridium);2'-(2-methylbutyl)-7'-pentan-2-ylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene] is sourced from PubChem (CID 158071499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).