2,4-bis(3-chlorophenyl)-6-[3-(3-diphenylphosphorylphenyl)phenyl]-1,3,5-triazine;2-(3-bromophenyl)-4,6-bis(3-chlorophenyl)-1,3,5-triazine;2-(3-diphenylphosphorylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C84H64BBrCl4N6O4P2 — CID 158875077

About 2,4-bis(3-chlorophenyl)-6-[3-(3-diphenylphosphorylphenyl)phenyl]-1,3,5-triazine;2-(3-bromophenyl)-4,6-bis(3-chlorophenyl)-1,3,5-triazine;2-(3-diphenylphosphorylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2,4-bis(3-chlorophenyl)-6-[3-(3-diphenylphosphorylphenyl)phenyl]-1,3,5-triazine;2-(3-bromophenyl)-4,6-bis(3-chlorophenyl)-1,3,5-triazine;2-(3-diphenylphosphorylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 158875077) has the molecular formula C84H64BBrCl4N6O4P2 and a molecular weight of 1515.95 g/mol. Its IUPAC name is 2,4-bis(3-chlorophenyl)-6-[3-(3-diphenylphosphorylphenyl)phenyl]-1,3,5-triazine;2-(3-bromophenyl)-4,6-bis(3-chlorophenyl)-1,3,5-triazine;2-(3-diphenylphosphorylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2,4-bis(3-chlorophenyl)-6-[3-(3-diphenylphosphorylphenyl)phenyl]-1,3,5-triazine;2-(3-bromophenyl)-4,6-bis(3-chlorophenyl)-1,3,5-triazine;2-(3-diphenylphosphorylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 158875077
• Molecular Formula: C84H64BBrCl4N6O4P2
• Molecular Weight: 1515.95 g/mol
• Exact Mass: 1512.25
• IUPAC Name: 2,4-bis(3-chlorophenyl)-6-[3-(3-diphenylphosphorylphenyl)phenyl]-1,3,5-triazine;2-(3-bromophenyl)-4,6-bis(3-chlorophenyl)-1,3,5-triazine;2-(3-diphenylphosphorylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(c2cccc(P(=O)(c3ccccc3)c3ccccc3)c2)OC1(C)C.Clc1cccc(-c2nc(-c3cccc(Cl)c3)nc(-c3cccc(Br)c3)n2)c1.O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2cccc(-c3nc(-c4cccc(Cl)c4)nc(-c4cccc(Cl)c4)n3)c2)c1
• InChI: InChI=1S/C39H26Cl2N3OP.C24H26BO3P.C21H12BrCl2N3/c40-32-16-8-14-30(24-32)38-42-37(43-39(44-38)31-15-9-17-33(41)25-31)29-13-7-11-27(23-29)28-12-10-22-36(26-28)46(45,34-18-3-1-4-19-34)35-20-5-2-6-21-35;1-23(2)24(3,4)28-25(27-23)19-12-11-17-22(18-19)29(26,20-13-7-5-8-14-20)21-15-9-6-10-16-21;22-16-7-1-4-13(10-16)19-25-20(14-5-2-8-17(23)11-14)27-21(26-19)15-6-3-9-18(24)12-15/h1-26H;5-18H,1-4H3;1-12H
• InChIKey: JCIHRPKFDRCTDV-UHFFFAOYSA-N
• XLogP: 20.05
• TPSA: 129.94 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1515.95
LogP ≤ 5	20.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3-chlorophenyl)-6-[3-(3-diphenylphosphorylphenyl)phenyl]-1,3,5-triazine;2-(3-bromophenyl)-4,6-bis(3-chlorophenyl)-1,3,5-triazine;2-(3-diphenylphosphorylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of 2,4-bis(3-chlorophenyl)-6-[3-(3-diphenylphosphorylphenyl)phenyl]-1,3,5-triazine;2-(3-bromophenyl)-4,6-bis(3-chlorophenyl)-1,3,5-triazine;2-(3-diphenylphosphorylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 158875077) is 2,4-bis(3-chlorophenyl)-6-[3-(3-diphenylphosphorylphenyl)phenyl]-1,3,5-triazine;2-(3-bromophenyl)-4,6-bis(3-chlorophenyl)-1,3,5-triazine;2-(3-diphenylphosphorylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the SMILES notation for 2,4-bis(3-chlorophenyl)-6-[3-(3-diphenylphosphorylphenyl)phenyl]-1,3,5-triazine;2-(3-bromophenyl)-4,6-bis(3-chlorophenyl)-1,3,5-triazine;2-(3-diphenylphosphorylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The canonical SMILES for 2,4-bis(3-chlorophenyl)-6-[3-(3-diphenylphosphorylphenyl)phenyl]-1,3,5-triazine;2-(3-bromophenyl)-4,6-bis(3-chlorophenyl)-1,3,5-triazine;2-(3-diphenylphosphorylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(c2cccc(P(=O)(c3ccccc3)c3ccccc3)c2)OC1(C)C.Clc1cccc(-c2nc(-c3cccc(Cl)c3)nc(-c3cccc(Br)c3)n2)c1.O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2cccc(-c3nc(-c4cccc(Cl)c4)nc(-c4cccc(Cl)c4)n3)c2)c1.

What is the InChIKey of 2,4-bis(3-chlorophenyl)-6-[3-(3-diphenylphosphorylphenyl)phenyl]-1,3,5-triazine;2-(3-bromophenyl)-4,6-bis(3-chlorophenyl)-1,3,5-triazine;2-(3-diphenylphosphorylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The InChIKey is JCIHRPKFDRCTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26Cl2N3OP.C24H26BO3P.C21H12BrCl2N3/c40-32-16-8-14-30(24-32)38-42-37(43-39(44-38)31-15-9-17-33(41)25-31)29-13-7-11-27(23-29)28-12-10-22-36(26-28)46(45,34-18-3-1-4-19-34)35-20-5-2-6-21-35;1-23(2)24(3,4)28-25(27-23)19-12-11-17-22(18-19)29(26,20-13-7-5-8-14-20)21-15-9-6-10-16-21;22-16-7-1-4-13(10-16)19-25-20(14-5-2-8-17(23)11-14)27-21(26-19)15-6-3-9-18(24)12-15/h1-26H;5-18H,1-4H3;1-12H.

What are the key properties of 2,4-bis(3-chlorophenyl)-6-[3-(3-diphenylphosphorylphenyl)phenyl]-1,3,5-triazine;2-(3-bromophenyl)-4,6-bis(3-chlorophenyl)-1,3,5-triazine;2-(3-diphenylphosphorylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

2,4-bis(3-chlorophenyl)-6-[3-(3-diphenylphosphorylphenyl)phenyl]-1,3,5-triazine;2-(3-bromophenyl)-4,6-bis(3-chlorophenyl)-1,3,5-triazine;2-(3-diphenylphosphorylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 1515.95 g/mol, XLogP of 20.05, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-bis(3-chlorophenyl)-6-[3-(3-diphenylphosphorylphenyl)phenyl]-1,3,5-triazine;2-(3-bromophenyl)-4,6-bis(3-chlorophenyl)-1,3,5-triazine;2-(3-diphenylphosphorylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 158875077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).