2,4-bis(4-phenylphenyl)-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;1-bromo-3-iodobenzene;2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine

C96H72BBr2IN6O2 — CID 157346345

About 2,4-bis(4-phenylphenyl)-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;1-bromo-3-iodobenzene;2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine

2,4-bis(4-phenylphenyl)-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;1-bromo-3-iodobenzene;2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (PubChem CID 157346345) has the molecular formula C96H72BBr2IN6O2 and a molecular weight of 1639.20 g/mol. Its IUPAC name is 2,4-bis(4-phenylphenyl)-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;1-bromo-3-iodobenzene;2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-bis(4-phenylphenyl)-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;1-bromo-3-iodobenzene;2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
• PubChem CID: 157346345
• Molecular Formula: C96H72BBr2IN6O2
• Molecular Weight: 1639.20 g/mol
• Exact Mass: 1636.32
• IUPAC Name: 2,4-bis(4-phenylphenyl)-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;1-bromo-3-iodobenzene;2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
• SMILES: Brc1cccc(-c2ccc(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)cc2)c1.Brc1cccc(I)c1.CC1(C)OB(c2ccc(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)cc2)OC1(C)C
• InChI: InChI=1S/C45H38BN3O2.C45H30BrN3.C6H4BrI/c1-44(2)45(3,4)51-46(50-44)40-29-27-36(28-30-40)35-19-25-39(26-20-35)43-48-41(37-21-15-33(16-22-37)31-11-7-5-8-12-31)47-42(49-43)38-23-17-34(18-24-38)32-13-9-6-10-14-32;46-42-13-7-12-41(30-42)37-16-14-35(15-17-37)36-22-28-40(29-23-36)45-48-43(38-24-18-33(19-25-38)31-8-3-1-4-9-31)47-44(49-45)39-26-20-34(21-27-39)32-10-5-2-6-11-32;7-5-2-1-3-6(8)4-5/h5-30H,1-4H3;1-30H;1-4H
• InChIKey: BHABQQZCWQUURV-UHFFFAOYSA-N
• XLogP: 25.53
• TPSA: 95.80 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1639.20
LogP ≤ 5	25.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-phenylphenyl)-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;1-bromo-3-iodobenzene;2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2,4-bis(4-phenylphenyl)-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;1-bromo-3-iodobenzene;2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (CID 157346345) is 2,4-bis(4-phenylphenyl)-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;1-bromo-3-iodobenzene;2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2,4-bis(4-phenylphenyl)-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;1-bromo-3-iodobenzene;2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?

The canonical SMILES for 2,4-bis(4-phenylphenyl)-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;1-bromo-3-iodobenzene;2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is Brc1cccc(-c2ccc(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)cc2)c1.Brc1cccc(I)c1.CC1(C)OB(c2ccc(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)cc2)OC1(C)C.

What is the InChIKey of 2,4-bis(4-phenylphenyl)-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;1-bromo-3-iodobenzene;2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?

The InChIKey is BHABQQZCWQUURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H38BN3O2.C45H30BrN3.C6H4BrI/c1-44(2)45(3,4)51-46(50-44)40-29-27-36(28-30-40)35-19-25-39(26-20-35)43-48-41(37-21-15-33(16-22-37)31-11-7-5-8-12-31)47-42(49-43)38-23-17-34(18-24-38)32-13-9-6-10-14-32;46-42-13-7-12-41(30-42)37-16-14-35(15-17-37)36-22-28-40(29-23-36)45-48-43(38-24-18-33(19-25-38)31-8-3-1-4-9-31)47-44(49-45)39-26-20-34(21-27-39)32-10-5-2-6-11-32;7-5-2-1-3-6(8)4-5/h5-30H,1-4H3;1-30H;1-4H.

What are the key properties of 2,4-bis(4-phenylphenyl)-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;1-bromo-3-iodobenzene;2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?

2,4-bis(4-phenylphenyl)-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;1-bromo-3-iodobenzene;2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 1639.20 g/mol, XLogP of 25.53, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-bis(4-phenylphenyl)-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;1-bromo-3-iodobenzene;2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 157346345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).