2-chloro-4,6-diphenylpyrimidine;2-[4-[2-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine

C104H74BClN10O4 — CID 160756825

About 2-chloro-4,6-diphenylpyrimidine;2-[4-[2-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine

2-chloro-4,6-diphenylpyrimidine;2-[4-[2-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine (PubChem CID 160756825) has the molecular formula C104H74BClN10O4 and a molecular weight of 1574.07 g/mol. Its IUPAC name is 2-chloro-4,6-diphenylpyrimidine;2-[4-[2-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-chloro-4,6-diphenylpyrimidine;2-[4-[2-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
• PubChem CID: 160756825
• Molecular Formula: C104H74BClN10O4
• Molecular Weight: 1574.07 g/mol
• Exact Mass: 1572.57
• IUPAC Name: 2-chloro-4,6-diphenylpyrimidine;2-[4-[2-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
• SMILES: CC1(C)OB(c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3c(c2)oc2ccccc23)OC1(C)C.Clc1nc(-c2ccccc2)cc(-c2ccccc2)n1.c1ccc(-c2cc(-c3ccc4oc5ccccc5c4c3-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C49H31N5O.C39H32BN3O3.C16H11ClN2/c1-5-15-32(16-6-1)40-31-41(51-46(50-40)34-17-7-2-8-18-34)38-29-30-43-45(39-23-13-14-24-42(39)55-43)44(38)33-25-27-37(28-26-33)49-53-47(35-19-9-3-10-20-35)52-48(54-49)36-21-11-4-12-22-36;1-38(2)39(3,4)46-40(45-38)29-23-31(34-30-17-11-12-18-32(30)44-33(34)24-29)25-19-21-28(22-20-25)37-42-35(26-13-7-5-8-14-26)41-36(43-37)27-15-9-6-10-16-27;17-16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13/h1-31H;5-24H,1-4H3;1-11H
• InChIKey: RXNSLIPKFXSTDS-UHFFFAOYSA-N
• XLogP: 25.43
• TPSA: 173.64 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1574.07
LogP ≤ 5	25.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

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-diphenylpyrimidine;2-[4-[2-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine?

The IUPAC name of 2-chloro-4,6-diphenylpyrimidine;2-[4-[2-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine (CID 160756825) is 2-chloro-4,6-diphenylpyrimidine;2-[4-[2-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine.

What is the SMILES notation for 2-chloro-4,6-diphenylpyrimidine;2-[4-[2-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine?

The canonical SMILES for 2-chloro-4,6-diphenylpyrimidine;2-[4-[2-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine is CC1(C)OB(c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3c(c2)oc2ccccc23)OC1(C)C.Clc1nc(-c2ccccc2)cc(-c2ccccc2)n1.c1ccc(-c2cc(-c3ccc4oc5ccccc5c4c3-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)nc(-c3ccccc3)n2)cc1.

What is the InChIKey of 2-chloro-4,6-diphenylpyrimidine;2-[4-[2-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine?

The InChIKey is RXNSLIPKFXSTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N5O.C39H32BN3O3.C16H11ClN2/c1-5-15-32(16-6-1)40-31-41(51-46(50-40)34-17-7-2-8-18-34)38-29-30-43-45(39-23-13-14-24-42(39)55-43)44(38)33-25-27-37(28-26-33)49-53-47(35-19-9-3-10-20-35)52-48(54-49)36-21-11-4-12-22-36;1-38(2)39(3,4)46-40(45-38)29-23-31(34-30-17-11-12-18-32(30)44-33(34)24-29)25-19-21-28(22-20-25)37-42-35(26-13-7-5-8-14-26)41-36(43-37)27-15-9-6-10-16-27;17-16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13/h1-31H;5-24H,1-4H3;1-11H.

What are the key properties of 2-chloro-4,6-diphenylpyrimidine;2-[4-[2-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine?

2-chloro-4,6-diphenylpyrimidine;2-[4-[2-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine has a molecular weight of 1574.07 g/mol, XLogP of 25.43, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4,6-diphenylpyrimidine;2-[4-[2-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 160756825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).