1-(3H-dibenzofuran-3-id-4-yl)-3-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]isoquinoline;1-(3H-dibenzofuran-3-id-4-yl)-3-(2-phenylpropan-2-yl)isoquinoline;3-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]-1-phenylisoquinoline;tetrakis(iridium(3+));1-phenyl-3-(2-phenylpropan-2-yl)isoquinoline;tris(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine

C190H130Ir4N12O5 — CID 157327682

About 1-(3H-dibenzofuran-3-id-4-yl)-3-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]isoquinoline;1-(3H-dibenzofuran-3-id-4-yl)-3-(2-phenylpropan-2-yl)isoquinoline;3-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]-1-phenylisoquinoline;tetrakis(iridium(3+));1-phenyl-3-(2-phenylpropan-2-yl)isoquinoline;tris(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine

1-(3H-dibenzofuran-3-id-4-yl)-3-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]isoquinoline;1-(3H-dibenzofuran-3-id-4-yl)-3-(2-phenylpropan-2-yl)isoquinoline;3-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]-1-phenylisoquinoline;tetrakis(iridium(3+));1-phenyl-3-(2-phenylpropan-2-yl)isoquinoline;tris(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine (PubChem CID 157327682) has the molecular formula C190H130Ir4N12O5 and a molecular weight of 3430.08 g/mol. Its IUPAC name is 1-(3H-dibenzofuran-3-id-4-yl)-3-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]isoquinoline;1-(3H-dibenzofuran-3-id-4-yl)-3-(2-phenylpropan-2-yl)isoquinoline;3-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]-1-phenylisoquinoline;tetrakis(iridium(3+));1-phenyl-3-(2-phenylpropan-2-yl)isoquinoline;tris(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine.

Molecular Properties

• Compound Name: 1-(3H-dibenzofuran-3-id-4-yl)-3-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]isoquinoline;1-(3H-dibenzofuran-3-id-4-yl)-3-(2-phenylpropan-2-yl)isoquinoline;3-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]-1-phenylisoquinoline;tetrakis(iridium(3+));1-phenyl-3-(2-phenylpropan-2-yl)isoquinoline;tris(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine
• PubChem CID: 157327682
• Molecular Formula: C190H130Ir4N12O5
• Molecular Weight: 3430.08 g/mol
• Exact Mass: 3430.88
• IUPAC Name: 1-(3H-dibenzofuran-3-id-4-yl)-3-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]isoquinoline;1-(3H-dibenzofuran-3-id-4-yl)-3-(2-phenylpropan-2-yl)isoquinoline;3-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]-1-phenylisoquinoline;tetrakis(iridium(3+));1-phenyl-3-(2-phenylpropan-2-yl)isoquinoline;tris(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine
• SMILES: CC(C)(c1[c-]cccc1)c1cc2ccccc2c(-c2[c-]ccc3c2oc2ccccc23)n1.CC(C)(c1[c-]cccc1)c1cc2ccccc2c(-c2[c-]cccc2)n1.CC(C)(c1cc2ccccc2c(-c2[c-]ccc3c2oc2ccccc23)n1)c1[c-]ccc2c1oc1ccccc12.CC(C)(c1cc2ccccc2c(-c2[c-]cccc2)n1)c1[c-]ccc2c1oc1ccccc12.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1c(-c2ccccn2)cc2c(oc3ccccc32)c1-c1ccccn1.[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1c(-c2ccccn2)cccc1-c1ccccn1
• InChI: InChI=1S/C36H23NO2.2C30H21NO.C24H19N.C22H13N2O.3C16H11N2.4Ir/c1-36(2,29-18-10-16-27-25-14-6-8-20-31(25)39-35(27)29)32-21-22-11-3-4-12-23(22)33(37-32)28-17-9-15-26-24-13-5-7-19-30(24)38-34(26)28;1-30(2,21-12-4-3-5-13-21)27-19-20-11-6-7-14-22(20)28(31-27)25-17-10-16-24-23-15-8-9-18-26(23)32-29(24)25;1-30(2,25-17-10-16-24-23-15-8-9-18-26(23)32-29(24)25)27-19-21-13-6-7-14-22(21)28(31-27)20-11-4-3-5-12-20;1-24(2,20-14-7-4-8-15-20)22-17-19-13-9-10-16-21(19)23(25-22)18-11-5-3-6-12-18;1-2-10-21-16(7-1)17-13-15(19-8-3-5-11-23-19)14-18(22(17)25-21)20-9-4-6-12-24-20;3*1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;;;;/h3-16,19-21H,1-2H3;3-12,14-16,18-19H,1-2H3;3-11,13-16,18-19H,1-2H3;3-11,13-14,16-17H,1-2H3;1-13H;3*1-11H;;;;/q4*-2;4*-1;4*+3
• InChIKey: YBTLNEDNKQWSNV-UHFFFAOYSA-N
• XLogP: 47.24
• TPSA: 220.38 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 20
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3430.08
LogP ≤ 5	47.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3H-dibenzofuran-3-id-4-yl)-3-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]isoquinoline;1-(3H-dibenzofuran-3-id-4-yl)-3-(2-phenylpropan-2-yl)isoquinoline;3-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]-1-phenylisoquinoline;tetrakis(iridium(3+));1-phenyl-3-(2-phenylpropan-2-yl)isoquinoline;tris(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine?

The IUPAC name of 1-(3H-dibenzofuran-3-id-4-yl)-3-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]isoquinoline;1-(3H-dibenzofuran-3-id-4-yl)-3-(2-phenylpropan-2-yl)isoquinoline;3-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]-1-phenylisoquinoline;tetrakis(iridium(3+));1-phenyl-3-(2-phenylpropan-2-yl)isoquinoline;tris(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine (CID 157327682) is 1-(3H-dibenzofuran-3-id-4-yl)-3-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]isoquinoline;1-(3H-dibenzofuran-3-id-4-yl)-3-(2-phenylpropan-2-yl)isoquinoline;3-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]-1-phenylisoquinoline;tetrakis(iridium(3+));1-phenyl-3-(2-phenylpropan-2-yl)isoquinoline;tris(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine.

What is the SMILES notation for 1-(3H-dibenzofuran-3-id-4-yl)-3-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]isoquinoline;1-(3H-dibenzofuran-3-id-4-yl)-3-(2-phenylpropan-2-yl)isoquinoline;3-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]-1-phenylisoquinoline;tetrakis(iridium(3+));1-phenyl-3-(2-phenylpropan-2-yl)isoquinoline;tris(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine?

The canonical SMILES for 1-(3H-dibenzofuran-3-id-4-yl)-3-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]isoquinoline;1-(3H-dibenzofuran-3-id-4-yl)-3-(2-phenylpropan-2-yl)isoquinoline;3-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]-1-phenylisoquinoline;tetrakis(iridium(3+));1-phenyl-3-(2-phenylpropan-2-yl)isoquinoline;tris(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine is CC(C)(c1[c-]cccc1)c1cc2ccccc2c(-c2[c-]ccc3c2oc2ccccc23)n1.CC(C)(c1[c-]cccc1)c1cc2ccccc2c(-c2[c-]cccc2)n1.CC(C)(c1cc2ccccc2c(-c2[c-]ccc3c2oc2ccccc23)n1)c1[c-]ccc2c1oc1ccccc12.CC(C)(c1cc2ccccc2c(-c2[c-]cccc2)n1)c1[c-]ccc2c1oc1ccccc12.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1c(-c2ccccn2)cc2c(oc3ccccc32)c1-c1ccccn1.[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1c(-c2ccccn2)cccc1-c1ccccn1.

What is the InChIKey of 1-(3H-dibenzofuran-3-id-4-yl)-3-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]isoquinoline;1-(3H-dibenzofuran-3-id-4-yl)-3-(2-phenylpropan-2-yl)isoquinoline;3-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]-1-phenylisoquinoline;tetrakis(iridium(3+));1-phenyl-3-(2-phenylpropan-2-yl)isoquinoline;tris(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine?

The InChIKey is YBTLNEDNKQWSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23NO2.2C30H21NO.C24H19N.C22H13N2O.3C16H11N2.4Ir/c1-36(2,29-18-10-16-27-25-14-6-8-20-31(25)39-35(27)29)32-21-22-11-3-4-12-23(22)33(37-32)28-17-9-15-26-24-13-5-7-19-30(24)38-34(26)28;1-30(2,21-12-4-3-5-13-21)27-19-20-11-6-7-14-22(20)28(31-27)25-17-10-16-24-23-15-8-9-18-26(23)32-29(24)25;1-30(2,25-17-10-16-24-23-15-8-9-18-26(23)32-29(24)25)27-19-21-13-6-7-14-22(21)28(31-27)20-11-4-3-5-12-20;1-24(2,20-14-7-4-8-15-20)22-17-19-13-9-10-16-21(19)23(25-22)18-11-5-3-6-12-18;1-2-10-21-16(7-1)17-13-15(19-8-3-5-11-23-19)14-18(22(17)25-21)20-9-4-6-12-24-20;3*1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;;;;/h3-16,19-21H,1-2H3;3-12,14-16,18-19H,1-2H3;3-11,13-16,18-19H,1-2H3;3-11,13-14,16-17H,1-2H3;1-13H;3*1-11H;;;;/q4*-2;4*-1;4*+3.

What are the key properties of 1-(3H-dibenzofuran-3-id-4-yl)-3-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]isoquinoline;1-(3H-dibenzofuran-3-id-4-yl)-3-(2-phenylpropan-2-yl)isoquinoline;3-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]-1-phenylisoquinoline;tetrakis(iridium(3+));1-phenyl-3-(2-phenylpropan-2-yl)isoquinoline;tris(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine?

1-(3H-dibenzofuran-3-id-4-yl)-3-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]isoquinoline;1-(3H-dibenzofuran-3-id-4-yl)-3-(2-phenylpropan-2-yl)isoquinoline;3-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]-1-phenylisoquinoline;tetrakis(iridium(3+));1-phenyl-3-(2-phenylpropan-2-yl)isoquinoline;tris(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine has a molecular weight of 3430.08 g/mol, XLogP of 47.24, 20 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3H-dibenzofuran-3-id-4-yl)-3-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]isoquinoline;1-(3H-dibenzofuran-3-id-4-yl)-3-(2-phenylpropan-2-yl)isoquinoline;3-[2-(3H-dibenzofuran-3-id-4-yl)propan-2-yl]-1-phenylisoquinoline;tetrakis(iridium(3+));1-phenyl-3-(2-phenylpropan-2-yl)isoquinoline;tris(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine);2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine is sourced from PubChem (CID 157327682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).