1-bromo-4-diphenylphosphorylbenzene;2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine

C108H84BBrN6O4P2 — CID 157243047

About 1-bromo-4-diphenylphosphorylbenzene;2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine

1-bromo-4-diphenylphosphorylbenzene;2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine (PubChem CID 157243047) has the molecular formula C108H84BBrN6O4P2 and a molecular weight of 1682.56 g/mol. Its IUPAC name is 1-bromo-4-diphenylphosphorylbenzene;2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 1-bromo-4-diphenylphosphorylbenzene;2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine
• PubChem CID: 157243047
• Molecular Formula: C108H84BBrN6O4P2
• Molecular Weight: 1682.56 g/mol
• Exact Mass: 1680.53
• IUPAC Name: 1-bromo-4-diphenylphosphorylbenzene;2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine
• SMILES: CC1(C)OB(c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)cc2)OC1(C)C.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)cc2)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(Br)cc1
• InChI: InChI=1S/C51H36N3OP.C39H34BN3O2.C18H14BrOP/c55-56(46-17-9-3-10-18-46,47-19-11-4-12-20-47)48-35-33-42(34-36-48)40-27-25-38(26-28-40)37-21-23-39(24-22-37)41-29-31-45(32-30-41)51-53-49(43-13-5-1-6-14-43)52-50(54-51)44-15-7-2-8-16-44;1-38(2)39(3,4)45-40(44-38)34-25-23-30(24-26-34)28-17-15-27(16-18-28)29-19-21-33(22-20-29)37-42-35(31-11-7-5-8-12-31)41-36(43-37)32-13-9-6-10-14-32;19-15-11-13-18(14-12-15)21(20,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-36H;5-26H,1-4H3;1-14H
• InChIKey: AVKVPPDMPDJSMR-UHFFFAOYSA-N
• XLogP: 24.11
• TPSA: 129.94 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1682.56
LogP ≤ 5	24.11
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 1-bromo-4-diphenylphosphorylbenzene;2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine?

The IUPAC name of 1-bromo-4-diphenylphosphorylbenzene;2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine (CID 157243047) is 1-bromo-4-diphenylphosphorylbenzene;2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine.

What is the SMILES notation for 1-bromo-4-diphenylphosphorylbenzene;2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine?

The canonical SMILES for 1-bromo-4-diphenylphosphorylbenzene;2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine is CC1(C)OB(c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)cc2)OC1(C)C.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)cc2)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(Br)cc1.

What is the InChIKey of 1-bromo-4-diphenylphosphorylbenzene;2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine?

The InChIKey is AVKVPPDMPDJSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N3OP.C39H34BN3O2.C18H14BrOP/c55-56(46-17-9-3-10-18-46,47-19-11-4-12-20-47)48-35-33-42(34-36-48)40-27-25-38(26-28-40)37-21-23-39(24-22-37)41-29-31-45(32-30-41)51-53-49(43-13-5-1-6-14-43)52-50(54-51)44-15-7-2-8-16-44;1-38(2)39(3,4)45-40(44-38)34-25-23-30(24-26-34)28-17-15-27(16-18-28)29-19-21-33(22-20-29)37-42-35(31-11-7-5-8-12-31)41-36(43-37)32-13-9-6-10-14-32;19-15-11-13-18(14-12-15)21(20,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-36H;5-26H,1-4H3;1-14H.

What are the key properties of 1-bromo-4-diphenylphosphorylbenzene;2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine?

1-bromo-4-diphenylphosphorylbenzene;2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine has a molecular weight of 1682.56 g/mol, XLogP of 24.11, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-4-diphenylphosphorylbenzene;2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 157243047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).