2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzoselenophen-4-yl]phenyl]-1,3,5-triazine;4,5,5-trimethyl-4-methyl-2-[6-(4-phenylphenyl)dibenzoselenophen-4-yl]-1,3,2-dioxaborolane

C96H69BBrN6O2Se2+ — CID 157193137

About 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzoselenophen-4-yl]phenyl]-1,3,5-triazine;4,5,5-trimethyl-4-methyl-2-[6-(4-phenylphenyl)dibenzoselenophen-4-yl]-1,3,2-dioxaborolane

2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzoselenophen-4-yl]phenyl]-1,3,5-triazine;4,5,5-trimethyl-4-methyl-2-[6-(4-phenylphenyl)dibenzoselenophen-4-yl]-1,3,2-dioxaborolane (PubChem CID 157193137) has the molecular formula C96H69BBrN6O2Se2+ and a molecular weight of 1587.28 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzoselenophen-4-yl]phenyl]-1,3,5-triazine;4,5,5-trimethyl-4-methyl-2-[6-(4-phenylphenyl)dibenzoselenophen-4-yl]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzoselenophen-4-yl]phenyl]-1,3,5-triazine;4,5,5-trimethyl-4-methyl-2-[6-(4-phenylphenyl)dibenzoselenophen-4-yl]-1,3,2-dioxaborolane
• PubChem CID: 157193137
• Molecular Formula: C96H69BBrN6O2Se2+
• Molecular Weight: 1587.28 g/mol
• Exact Mass: 1587.31
• IUPAC Name: 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzoselenophen-4-yl]phenyl]-1,3,5-triazine;4,5,5-trimethyl-4-methyl-2-[6-(4-phenylphenyl)dibenzoselenophen-4-yl]-1,3,2-dioxaborolane
• SMILES: Brc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.[CH2+]C1(C)OB(c2cccc3c2[se]c2c(-c4ccc(-c5ccccc5)cc4)cccc23)OC1(C)C.c1ccc(-c2ccc(-c3cccc4c3[se]c3c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cccc34)cc2)cc1
• InChI: InChI=1S/C45H29N3Se.C30H26BO2Se.C21H14BrN3/c1-4-13-30(14-5-1)31-25-27-32(28-26-31)37-21-11-23-39-40-24-12-22-38(42(40)49-41(37)39)35-19-10-20-36(29-35)45-47-43(33-15-6-2-7-16-33)46-44(48-45)34-17-8-3-9-18-34;1-29(2)30(3,4)33-31(32-29)26-15-9-14-25-24-13-8-12-23(27(24)34-28(25)26)22-18-16-21(17-19-22)20-10-6-5-7-11-20;22-18-13-7-12-17(14-18)21-24-19(15-8-3-1-4-9-15)23-20(25-21)16-10-5-2-6-11-16/h1-29H;5-19H,1H2,2-4H3;1-14H/q;+1
• InChIKey: APXWGLKOCDBROX-UHFFFAOYSA-N
• XLogP: 23.37
• TPSA: 95.80 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1587.28
LogP ≤ 5	23.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzoselenophen-4-yl]phenyl]-1,3,5-triazine;4,5,5-trimethyl-4-methyl-2-[6-(4-phenylphenyl)dibenzoselenophen-4-yl]-1,3,2-dioxaborolane?

The IUPAC name of 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzoselenophen-4-yl]phenyl]-1,3,5-triazine;4,5,5-trimethyl-4-methyl-2-[6-(4-phenylphenyl)dibenzoselenophen-4-yl]-1,3,2-dioxaborolane (CID 157193137) is 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzoselenophen-4-yl]phenyl]-1,3,5-triazine;4,5,5-trimethyl-4-methyl-2-[6-(4-phenylphenyl)dibenzoselenophen-4-yl]-1,3,2-dioxaborolane.

What is the SMILES notation for 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzoselenophen-4-yl]phenyl]-1,3,5-triazine;4,5,5-trimethyl-4-methyl-2-[6-(4-phenylphenyl)dibenzoselenophen-4-yl]-1,3,2-dioxaborolane?

The canonical SMILES for 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzoselenophen-4-yl]phenyl]-1,3,5-triazine;4,5,5-trimethyl-4-methyl-2-[6-(4-phenylphenyl)dibenzoselenophen-4-yl]-1,3,2-dioxaborolane is Brc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.[CH2+]C1(C)OB(c2cccc3c2[se]c2c(-c4ccc(-c5ccccc5)cc4)cccc23)OC1(C)C.c1ccc(-c2ccc(-c3cccc4c3[se]c3c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cccc34)cc2)cc1.

What is the InChIKey of 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzoselenophen-4-yl]phenyl]-1,3,5-triazine;4,5,5-trimethyl-4-methyl-2-[6-(4-phenylphenyl)dibenzoselenophen-4-yl]-1,3,2-dioxaborolane?

The InChIKey is APXWGLKOCDBROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3Se.C30H26BO2Se.C21H14BrN3/c1-4-13-30(14-5-1)31-25-27-32(28-26-31)37-21-11-23-39-40-24-12-22-38(42(40)49-41(37)39)35-19-10-20-36(29-35)45-47-43(33-15-6-2-7-16-33)46-44(48-45)34-17-8-3-9-18-34;1-29(2)30(3,4)33-31(32-29)26-15-9-14-25-24-13-8-12-23(27(24)34-28(25)26)22-18-16-21(17-19-22)20-10-6-5-7-11-20;22-18-13-7-12-17(14-18)21-24-19(15-8-3-1-4-9-15)23-20(25-21)16-10-5-2-6-11-16/h1-29H;5-19H,1H2,2-4H3;1-14H/q;+1;.

What are the key properties of 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzoselenophen-4-yl]phenyl]-1,3,5-triazine;4,5,5-trimethyl-4-methyl-2-[6-(4-phenylphenyl)dibenzoselenophen-4-yl]-1,3,2-dioxaborolane?

2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzoselenophen-4-yl]phenyl]-1,3,5-triazine;4,5,5-trimethyl-4-methyl-2-[6-(4-phenylphenyl)dibenzoselenophen-4-yl]-1,3,2-dioxaborolane has a molecular weight of 1587.28 g/mol, XLogP of 23.37, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzoselenophen-4-yl]phenyl]-1,3,5-triazine;4,5,5-trimethyl-4-methyl-2-[6-(4-phenylphenyl)dibenzoselenophen-4-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 157193137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).