2-chloro-4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine;2,4-diphenyl-6-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]-1,3,5-triazine

C80H52BCl3N10O6 — CID 160516582

About 2-chloro-4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine;2,4-diphenyl-6-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]-1,3,5-triazine

2-chloro-4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine;2,4-diphenyl-6-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]-1,3,5-triazine (PubChem CID 160516582) has the molecular formula C80H52BCl3N10O6 and a molecular weight of 1366.53 g/mol. Its IUPAC name is 2-chloro-4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine;2,4-diphenyl-6-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-chloro-4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine;2,4-diphenyl-6-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]-1,3,5-triazine
• PubChem CID: 160516582
• Molecular Formula: C80H52BCl3N10O6
• Molecular Weight: 1366.53 g/mol
• Exact Mass: 1364.32
• IUPAC Name: 2-chloro-4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine;2,4-diphenyl-6-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]-1,3,5-triazine
• SMILES: CC1(C)OB(c2ccc3c(c2)oc2c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc23)OC1(C)C.Clc1nc(-c2ccc3c(c2)oc2c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc23)c2oc3ccccc3c2n1.Clc1nc(Cl)c2oc3ccccc3c2n1
• InChI: InChI=1S/C37H20ClN5O2.C33H28BN3O3.C10H4Cl2N2O/c38-37-39-30(33-31(40-37)26-14-7-8-17-28(26)44-33)23-18-19-24-25-15-9-16-27(32(25)45-29(24)20-23)36-42-34(21-10-3-1-4-11-21)41-35(43-36)22-12-5-2-6-13-22;1-32(2)33(3,4)40-34(39-32)23-18-19-24-25-16-11-17-26(28(25)38-27(24)20-23)31-36-29(21-12-7-5-8-13-21)35-30(37-31)22-14-9-6-10-15-22;11-9-8-7(13-10(12)14-9)5-3-1-2-4-6(5)15-8/h1-20H;5-20H,1-4H3;1-4H
• InChIKey: QTSVUHUVTVXJAC-UHFFFAOYSA-N
• XLogP: 20.54
• TPSA: 199.92 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1366.53
LogP ≤ 5	20.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine;2,4-diphenyl-6-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]-1,3,5-triazine?

The IUPAC name of 2-chloro-4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine;2,4-diphenyl-6-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]-1,3,5-triazine (CID 160516582) is 2-chloro-4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine;2,4-diphenyl-6-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]-1,3,5-triazine.

What is the SMILES notation for 2-chloro-4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine;2,4-diphenyl-6-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]-1,3,5-triazine?

The canonical SMILES for 2-chloro-4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine;2,4-diphenyl-6-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]-1,3,5-triazine is CC1(C)OB(c2ccc3c(c2)oc2c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc23)OC1(C)C.Clc1nc(-c2ccc3c(c2)oc2c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc23)c2oc3ccccc3c2n1.Clc1nc(Cl)c2oc3ccccc3c2n1.

What is the InChIKey of 2-chloro-4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine;2,4-diphenyl-6-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]-1,3,5-triazine?

The InChIKey is QTSVUHUVTVXJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H20ClN5O2.C33H28BN3O3.C10H4Cl2N2O/c38-37-39-30(33-31(40-37)26-14-7-8-17-28(26)44-33)23-18-19-24-25-15-9-16-27(32(25)45-29(24)20-23)36-42-34(21-10-3-1-4-11-21)41-35(43-36)22-12-5-2-6-13-22;1-32(2)33(3,4)40-34(39-32)23-18-19-24-25-16-11-17-26(28(25)38-27(24)20-23)31-36-29(21-12-7-5-8-13-21)35-30(37-31)22-14-9-6-10-15-22;11-9-8-7(13-10(12)14-9)5-3-1-2-4-6(5)15-8/h1-20H;5-20H,1-4H3;1-4H.

What are the key properties of 2-chloro-4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine;2,4-diphenyl-6-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]-1,3,5-triazine?

2-chloro-4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine;2,4-diphenyl-6-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]-1,3,5-triazine has a molecular weight of 1366.53 g/mol, XLogP of 20.54, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine;2,4-diphenyl-6-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]-1,3,5-triazine is sourced from PubChem (CID 160516582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).