2-(3H-dibenzofuran-3-id-4-yl)-5-(2-methylpropyl)quinoline;2-(3H-dibenzofuran-3-id-4-yl)quinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-ylisoquinoline;tetrakis(3-dinaphthalen-2-ylphosphoryl-2H-naphthalen-2-ide);tetrakis(iridium)

C206H152Ir4N4O6P4-8 — CID 163724410

About 2-(3H-dibenzofuran-3-id-4-yl)-5-(2-methylpropyl)quinoline;2-(3H-dibenzofuran-3-id-4-yl)quinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-ylisoquinoline;tetrakis(3-dinaphthalen-2-ylphosphoryl-2H-naphthalen-2-ide);tetrakis(iridium)

2-(3H-dibenzofuran-3-id-4-yl)-5-(2-methylpropyl)quinoline;2-(3H-dibenzofuran-3-id-4-yl)quinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-ylisoquinoline;tetrakis(3-dinaphthalen-2-ylphosphoryl-2H-naphthalen-2-ide);tetrakis(iridium) (PubChem CID 163724410) has the molecular formula C206H152Ir4N4O6P4-8 and a molecular weight of 3672.27 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-5-(2-methylpropyl)quinoline;2-(3H-dibenzofuran-3-id-4-yl)quinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-ylisoquinoline;tetrakis(3-dinaphthalen-2-ylphosphoryl-2H-naphthalen-2-ide);tetrakis(iridium).

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-5-(2-methylpropyl)quinoline;2-(3H-dibenzofuran-3-id-4-yl)quinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-ylisoquinoline;tetrakis(3-dinaphthalen-2-ylphosphoryl-2H-naphthalen-2-ide);tetrakis(iridium)
• PubChem CID: 163724410
• Molecular Formula: C206H152Ir4N4O6P4-8
• Molecular Weight: 3672.27 g/mol
• Exact Mass: 3672.92
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-5-(2-methylpropyl)quinoline;2-(3H-dibenzofuran-3-id-4-yl)quinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-ylisoquinoline;tetrakis(3-dinaphthalen-2-ylphosphoryl-2H-naphthalen-2-ide);tetrakis(iridium)
• SMILES: CC(C)Cc1cccc2nc(-c3[c-]ccc4c3oc3ccccc34)ccc12.Cc1[c-]c(-c2nccc3cc(C(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3ccc(C(C)C)cc23)cc(C)c1.O=P(c1[c-]cc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1.O=P(c1[c-]cc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1.O=P(c1[c-]cc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1.O=P(c1[c-]cc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1ccc2ccccc2n1
• InChI: InChI=1S/4C30H20OP.C25H20NO.C21H12NO.2C20H20N.4Ir/c4*31-32(28-16-13-22-7-1-4-10-25(22)19-28,29-17-14-23-8-2-5-11-26(23)20-29)30-18-15-24-9-3-6-12-27(24)21-30;1-16(2)15-17-7-5-11-22-18(17)13-14-23(26-22)21-10-6-9-20-19-8-3-4-12-24(19)27-25(20)21;1-3-10-18-14(6-1)12-13-19(22-18)17-9-5-8-16-15-7-2-4-11-20(15)23-21(16)17;1-13(2)16-5-6-19-17(12-16)7-8-21-20(19)18-10-14(3)9-15(4)11-18;1-13(2)17-6-5-16-7-8-21-20(19(16)12-17)18-10-14(3)9-15(4)11-18;;;;/h4*1-17,19-21H;3-9,11-14,16H,15H2,1-2H3;1-8,10-13H;2*5-10,12-13H,1-4H3;;;;/q8*-1
• InChIKey: OLFCINZBPULSMA-UHFFFAOYSA-N
• XLogP: 49.62
• TPSA: 146.12 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3672.27
LogP ≤ 5	49.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-5-(2-methylpropyl)quinoline;2-(3H-dibenzofuran-3-id-4-yl)quinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-ylisoquinoline;tetrakis(3-dinaphthalen-2-ylphosphoryl-2H-naphthalen-2-ide);tetrakis(iridium)?

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-5-(2-methylpropyl)quinoline;2-(3H-dibenzofuran-3-id-4-yl)quinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-ylisoquinoline;tetrakis(3-dinaphthalen-2-ylphosphoryl-2H-naphthalen-2-ide);tetrakis(iridium) (CID 163724410) is 2-(3H-dibenzofuran-3-id-4-yl)-5-(2-methylpropyl)quinoline;2-(3H-dibenzofuran-3-id-4-yl)quinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-ylisoquinoline;tetrakis(3-dinaphthalen-2-ylphosphoryl-2H-naphthalen-2-ide);tetrakis(iridium).

What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-5-(2-methylpropyl)quinoline;2-(3H-dibenzofuran-3-id-4-yl)quinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-ylisoquinoline;tetrakis(3-dinaphthalen-2-ylphosphoryl-2H-naphthalen-2-ide);tetrakis(iridium)?

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-5-(2-methylpropyl)quinoline;2-(3H-dibenzofuran-3-id-4-yl)quinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-ylisoquinoline;tetrakis(3-dinaphthalen-2-ylphosphoryl-2H-naphthalen-2-ide);tetrakis(iridium) is CC(C)Cc1cccc2nc(-c3[c-]ccc4c3oc3ccccc34)ccc12.Cc1[c-]c(-c2nccc3cc(C(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3ccc(C(C)C)cc23)cc(C)c1.O=P(c1[c-]cc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1.O=P(c1[c-]cc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1.O=P(c1[c-]cc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1.O=P(c1[c-]cc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1ccc2ccccc2n1.

What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-5-(2-methylpropyl)quinoline;2-(3H-dibenzofuran-3-id-4-yl)quinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-ylisoquinoline;tetrakis(3-dinaphthalen-2-ylphosphoryl-2H-naphthalen-2-ide);tetrakis(iridium)?

The InChIKey is OLFCINZBPULSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C30H20OP.C25H20NO.C21H12NO.2C20H20N.4Ir/c4*31-32(28-16-13-22-7-1-4-10-25(22)19-28,29-17-14-23-8-2-5-11-26(23)20-29)30-18-15-24-9-3-6-12-27(24)21-30;1-16(2)15-17-7-5-11-22-18(17)13-14-23(26-22)21-10-6-9-20-19-8-3-4-12-24(19)27-25(20)21;1-3-10-18-14(6-1)12-13-19(22-18)17-9-5-8-16-15-7-2-4-11-20(15)23-21(16)17;1-13(2)16-5-6-19-17(12-16)7-8-21-20(19)18-10-14(3)9-15(4)11-18;1-13(2)17-6-5-16-7-8-21-20(19(16)12-17)18-10-14(3)9-15(4)11-18;;;;/h4*1-17,19-21H;3-9,11-14,16H,15H2,1-2H3;1-8,10-13H;2*5-10,12-13H,1-4H3;;;;/q8*-1;;;;.

What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-5-(2-methylpropyl)quinoline;2-(3H-dibenzofuran-3-id-4-yl)quinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-ylisoquinoline;tetrakis(3-dinaphthalen-2-ylphosphoryl-2H-naphthalen-2-ide);tetrakis(iridium)?

2-(3H-dibenzofuran-3-id-4-yl)-5-(2-methylpropyl)quinoline;2-(3H-dibenzofuran-3-id-4-yl)quinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-ylisoquinoline;tetrakis(3-dinaphthalen-2-ylphosphoryl-2H-naphthalen-2-ide);tetrakis(iridium) has a molecular weight of 3672.27 g/mol, XLogP of 49.62, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-dibenzofuran-3-id-4-yl)-5-(2-methylpropyl)quinoline;2-(3H-dibenzofuran-3-id-4-yl)quinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-ylisoquinoline;tetrakis(3-dinaphthalen-2-ylphosphoryl-2H-naphthalen-2-ide);tetrakis(iridium) is sourced from PubChem (CID 163724410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).