8-[6-[2,6-di(propan-2-yl)phenyl]furo[3,2-d]pyrimidin-4-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[6-[2,6-di(propan-2-yl)phenyl]thieno[3,2-d]pyrimidin-4-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-(2-methyl-3H-dibenzofuran-3-id-4-yl)-6-phenylfuro[3,2-d]pyrimidine;4-(2-methyl-3H-dibenzofuran-3-id-4-yl)-6-phenylthieno[3,2-d]pyrimidine

C130H114Ir4N10O14S2-4 — CID 157087136

About 8-[6-[2,6-di(propan-2-yl)phenyl]furo[3,2-d]pyrimidin-4-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[6-[2,6-di(propan-2-yl)phenyl]thieno[3,2-d]pyrimidin-4-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-(2-methyl-3H-dibenzofuran-3-id-4-yl)-6-phenylfuro[3,2-d]pyrimidine;4-(2-methyl-3H-dibenzofuran-3-id-4-yl)-6-phenylthieno[3,2-d]pyrimidine

8-[6-[2,6-di(propan-2-yl)phenyl]furo[3,2-d]pyrimidin-4-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[6-[2,6-di(propan-2-yl)phenyl]thieno[3,2-d]pyrimidin-4-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-(2-methyl-3H-dibenzofuran-3-id-4-yl)-6-phenylfuro[3,2-d]pyrimidine;4-(2-methyl-3H-dibenzofuran-3-id-4-yl)-6-phenylthieno[3,2-d]pyrimidine (PubChem CID 157087136) has the molecular formula C130H114Ir4N10O14S2-4 and a molecular weight of 2873.40 g/mol. Its IUPAC name is 8-[6-[2,6-di(propan-2-yl)phenyl]furo[3,2-d]pyrimidin-4-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[6-[2,6-di(propan-2-yl)phenyl]thieno[3,2-d]pyrimidin-4-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-(2-methyl-3H-dibenzofuran-3-id-4-yl)-6-phenylfuro[3,2-d]pyrimidine;4-(2-methyl-3H-dibenzofuran-3-id-4-yl)-6-phenylthieno[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 8-[6-[2,6-di(propan-2-yl)phenyl]furo[3,2-d]pyrimidin-4-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[6-[2,6-di(propan-2-yl)phenyl]thieno[3,2-d]pyrimidin-4-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-(2-methyl-3H-dibenzofuran-3-id-4-yl)-6-phenylfuro[3,2-d]pyrimidine;4-(2-methyl-3H-dibenzofuran-3-id-4-yl)-6-phenylthieno[3,2-d]pyrimidine
• PubChem CID: 157087136
• Molecular Formula: C130H114Ir4N10O14S2-4
• Molecular Weight: 2873.40 g/mol
• Exact Mass: 2874.65
• IUPAC Name: 8-[6-[2,6-di(propan-2-yl)phenyl]furo[3,2-d]pyrimidin-4-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[6-[2,6-di(propan-2-yl)phenyl]thieno[3,2-d]pyrimidin-4-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-(2-methyl-3H-dibenzofuran-3-id-4-yl)-6-phenylfuro[3,2-d]pyrimidine;4-(2-methyl-3H-dibenzofuran-3-id-4-yl)-6-phenylthieno[3,2-d]pyrimidine
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1[c-]c(-c2ncnc3cc(-c4ccccc4)oc23)c2oc3ccccc3c2c1.Cc1[c-]c(-c2ncnc3cc(-c4ccccc4)sc23)c2oc3ccccc3c2c1.Cc1ccc2c(n1)oc1c(-c3ncnc4cc(-c5c(C(C)C)cccc5C(C)C)oc34)[c-]ccc12.Cc1ccc2c(n1)oc1c(-c3ncnc4cc(-c5c(C(C)C)cccc5C(C)C)sc34)[c-]ccc12.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C30H26N3O2.C30H26N3OS.C25H15N2O2.C25H15N2OS.4C5H8O2.4Ir/c1-16(2)19-8-6-9-20(17(3)4)26(19)25-14-24-29(34-25)27(32-15-31-24)23-11-7-10-21-22-13-12-18(5)33-30(22)35-28(21)23;1-16(2)19-8-6-9-20(17(3)4)26(19)25-14-24-29(35-25)27(32-15-31-24)23-11-7-10-21-22-13-12-18(5)33-30(22)34-28(21)23;2*1-15-11-18-17-9-5-6-10-21(17)28-24(18)19(12-15)23-25-20(26-14-27-23)13-22(29-25)16-7-3-2-4-8-16;4*1-4(6)3-5(2)7;;;;/h2*6-10,12-17H,1-5H3;2*2-11,13-14H,1H3;4*3,6H,1-2H3;;;;/q4*-1
• InChIKey: QVGFTABGUNRZLR-UHFFFAOYSA-N
• XLogP: 34.62
• TPSA: 356.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2873.40
LogP ≤ 5	34.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[6-[2,6-di(propan-2-yl)phenyl]furo[3,2-d]pyrimidin-4-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[6-[2,6-di(propan-2-yl)phenyl]thieno[3,2-d]pyrimidin-4-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-(2-methyl-3H-dibenzofuran-3-id-4-yl)-6-phenylfuro[3,2-d]pyrimidine;4-(2-methyl-3H-dibenzofuran-3-id-4-yl)-6-phenylthieno[3,2-d]pyrimidine?

The IUPAC name of 8-[6-[2,6-di(propan-2-yl)phenyl]furo[3,2-d]pyrimidin-4-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[6-[2,6-di(propan-2-yl)phenyl]thieno[3,2-d]pyrimidin-4-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-(2-methyl-3H-dibenzofuran-3-id-4-yl)-6-phenylfuro[3,2-d]pyrimidine;4-(2-methyl-3H-dibenzofuran-3-id-4-yl)-6-phenylthieno[3,2-d]pyrimidine (CID 157087136) is 8-[6-[2,6-di(propan-2-yl)phenyl]furo[3,2-d]pyrimidin-4-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[6-[2,6-di(propan-2-yl)phenyl]thieno[3,2-d]pyrimidin-4-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-(2-methyl-3H-dibenzofuran-3-id-4-yl)-6-phenylfuro[3,2-d]pyrimidine;4-(2-methyl-3H-dibenzofuran-3-id-4-yl)-6-phenylthieno[3,2-d]pyrimidine.

What is the SMILES notation for 8-[6-[2,6-di(propan-2-yl)phenyl]furo[3,2-d]pyrimidin-4-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[6-[2,6-di(propan-2-yl)phenyl]thieno[3,2-d]pyrimidin-4-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-(2-methyl-3H-dibenzofuran-3-id-4-yl)-6-phenylfuro[3,2-d]pyrimidine;4-(2-methyl-3H-dibenzofuran-3-id-4-yl)-6-phenylthieno[3,2-d]pyrimidine?

The canonical SMILES for 8-[6-[2,6-di(propan-2-yl)phenyl]furo[3,2-d]pyrimidin-4-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[6-[2,6-di(propan-2-yl)phenyl]thieno[3,2-d]pyrimidin-4-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-(2-methyl-3H-dibenzofuran-3-id-4-yl)-6-phenylfuro[3,2-d]pyrimidine;4-(2-methyl-3H-dibenzofuran-3-id-4-yl)-6-phenylthieno[3,2-d]pyrimidine is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1[c-]c(-c2ncnc3cc(-c4ccccc4)oc23)c2oc3ccccc3c2c1.Cc1[c-]c(-c2ncnc3cc(-c4ccccc4)sc23)c2oc3ccccc3c2c1.Cc1ccc2c(n1)oc1c(-c3ncnc4cc(-c5c(C(C)C)cccc5C(C)C)oc34)[c-]ccc12.Cc1ccc2c(n1)oc1c(-c3ncnc4cc(-c5c(C(C)C)cccc5C(C)C)sc34)[c-]ccc12.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 8-[6-[2,6-di(propan-2-yl)phenyl]furo[3,2-d]pyrimidin-4-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[6-[2,6-di(propan-2-yl)phenyl]thieno[3,2-d]pyrimidin-4-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-(2-methyl-3H-dibenzofuran-3-id-4-yl)-6-phenylfuro[3,2-d]pyrimidine;4-(2-methyl-3H-dibenzofuran-3-id-4-yl)-6-phenylthieno[3,2-d]pyrimidine?

The InChIKey is QVGFTABGUNRZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N3O2.C30H26N3OS.C25H15N2O2.C25H15N2OS.4C5H8O2.4Ir/c1-16(2)19-8-6-9-20(17(3)4)26(19)25-14-24-29(34-25)27(32-15-31-24)23-11-7-10-21-22-13-12-18(5)33-30(22)35-28(21)23;1-16(2)19-8-6-9-20(17(3)4)26(19)25-14-24-29(35-25)27(32-15-31-24)23-11-7-10-21-22-13-12-18(5)33-30(22)34-28(21)23;2*1-15-11-18-17-9-5-6-10-21(17)28-24(18)19(12-15)23-25-20(26-14-27-23)13-22(29-25)16-7-3-2-4-8-16;4*1-4(6)3-5(2)7;;;;/h2*6-10,12-17H,1-5H3;2*2-11,13-14H,1H3;4*3,6H,1-2H3;;;;/q4*-1;;;;;;;;.

What are the key properties of 8-[6-[2,6-di(propan-2-yl)phenyl]furo[3,2-d]pyrimidin-4-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[6-[2,6-di(propan-2-yl)phenyl]thieno[3,2-d]pyrimidin-4-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-(2-methyl-3H-dibenzofuran-3-id-4-yl)-6-phenylfuro[3,2-d]pyrimidine;4-(2-methyl-3H-dibenzofuran-3-id-4-yl)-6-phenylthieno[3,2-d]pyrimidine?

8-[6-[2,6-di(propan-2-yl)phenyl]furo[3,2-d]pyrimidin-4-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[6-[2,6-di(propan-2-yl)phenyl]thieno[3,2-d]pyrimidin-4-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-(2-methyl-3H-dibenzofuran-3-id-4-yl)-6-phenylfuro[3,2-d]pyrimidine;4-(2-methyl-3H-dibenzofuran-3-id-4-yl)-6-phenylthieno[3,2-d]pyrimidine has a molecular weight of 2873.40 g/mol, XLogP of 34.62, 16 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[6-[2,6-di(propan-2-yl)phenyl]furo[3,2-d]pyrimidin-4-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[6-[2,6-di(propan-2-yl)phenyl]thieno[3,2-d]pyrimidin-4-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-(2-methyl-3H-dibenzofuran-3-id-4-yl)-6-phenylfuro[3,2-d]pyrimidine;4-(2-methyl-3H-dibenzofuran-3-id-4-yl)-6-phenylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 157087136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).