2,4-bis[4-(4-bromo-2,6-dimethylphenyl)phenyl]-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2-bromo-5-iodo-1,3-dimethylbenzene;2-(4-dodecylphenyl)-4,6-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine

C135H159B2Br5IN9O4 — CID 157351450

About 2,4-bis[4-(4-bromo-2,6-dimethylphenyl)phenyl]-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2-bromo-5-iodo-1,3-dimethylbenzene;2-(4-dodecylphenyl)-4,6-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine

2,4-bis[4-(4-bromo-2,6-dimethylphenyl)phenyl]-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2-bromo-5-iodo-1,3-dimethylbenzene;2-(4-dodecylphenyl)-4,6-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine (PubChem CID 157351450) has the molecular formula C135H159B2Br5IN9O4 and a molecular weight of 2519.86 g/mol. Its IUPAC name is 2,4-bis[4-(4-bromo-2,6-dimethylphenyl)phenyl]-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2-bromo-5-iodo-1,3-dimethylbenzene;2-(4-dodecylphenyl)-4,6-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-bis[4-(4-bromo-2,6-dimethylphenyl)phenyl]-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2-bromo-5-iodo-1,3-dimethylbenzene;2-(4-dodecylphenyl)-4,6-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
• PubChem CID: 157351450
• Molecular Formula: C135H159B2Br5IN9O4
• Molecular Weight: 2519.86 g/mol
• Exact Mass: 2513.77
• IUPAC Name: 2,4-bis[4-(4-bromo-2,6-dimethylphenyl)phenyl]-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2-bromo-5-iodo-1,3-dimethylbenzene;2-(4-dodecylphenyl)-4,6-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
• SMILES: CCCCCCCCCCCCc1ccc(-c2nc(-c3ccc(-c4c(C)cc(Br)cc4C)cc3)nc(-c3ccc(-c4c(C)cc(Br)cc4C)cc3)n2)cc1.CCCCCCCCCCCCc1ccc(-c2nc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)nc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)n2)cc1.CCCCCCCCCCCCc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)n2)cc1.Cc1cc(I)cc(C)c1Br
• InChI: InChI=1S/C49H53Br2N3.C45H61B2N3O4.C33H37Br2N3.C8H8BrI/c1-6-7-8-9-10-11-12-13-14-15-16-37-17-19-40(20-18-37)47-52-48(41-25-21-38(22-26-41)45-33(2)29-43(50)30-34(45)3)54-49(53-47)42-27-23-39(24-28-42)46-35(4)31-44(51)32-36(46)5;1-10-11-12-13-14-15-16-17-18-19-20-33-21-23-34(24-22-33)39-48-40(35-25-29-37(30-26-35)46-51-42(2,3)43(4,5)52-46)50-41(49-39)36-27-31-38(32-28-36)47-53-44(6,7)45(8,9)54-47;1-2-3-4-5-6-7-8-9-10-11-12-25-13-15-26(16-14-25)31-36-32(27-17-21-29(34)22-18-27)38-33(37-31)28-19-23-30(35)24-20-28;1-5-3-7(10)4-6(2)8(5)9/h17-32H,6-16H2,1-5H3;21-32H,10-20H2,1-9H3;13-24H,2-12H2,1H3;3-4H,1-2H3
• InChIKey: BHOUEPDMDIJCIM-UHFFFAOYSA-N
• XLogP: 39.89
• TPSA: 152.93 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 46
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2519.86
LogP ≤ 5	39.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(4-bromo-2,6-dimethylphenyl)phenyl]-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2-bromo-5-iodo-1,3-dimethylbenzene;2-(4-dodecylphenyl)-4,6-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine?

The IUPAC name of 2,4-bis[4-(4-bromo-2,6-dimethylphenyl)phenyl]-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2-bromo-5-iodo-1,3-dimethylbenzene;2-(4-dodecylphenyl)-4,6-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine (CID 157351450) is 2,4-bis[4-(4-bromo-2,6-dimethylphenyl)phenyl]-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2-bromo-5-iodo-1,3-dimethylbenzene;2-(4-dodecylphenyl)-4,6-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine.

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

The canonical SMILES for 2,4-bis[4-(4-bromo-2,6-dimethylphenyl)phenyl]-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2-bromo-5-iodo-1,3-dimethylbenzene;2-(4-dodecylphenyl)-4,6-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine is CCCCCCCCCCCCc1ccc(-c2nc(-c3ccc(-c4c(C)cc(Br)cc4C)cc3)nc(-c3ccc(-c4c(C)cc(Br)cc4C)cc3)n2)cc1.CCCCCCCCCCCCc1ccc(-c2nc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)nc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)n2)cc1.CCCCCCCCCCCCc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)n2)cc1.Cc1cc(I)cc(C)c1Br.

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

The InChIKey is BHOUEPDMDIJCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H53Br2N3.C45H61B2N3O4.C33H37Br2N3.C8H8BrI/c1-6-7-8-9-10-11-12-13-14-15-16-37-17-19-40(20-18-37)47-52-48(41-25-21-38(22-26-41)45-33(2)29-43(50)30-34(45)3)54-49(53-47)42-27-23-39(24-28-42)46-35(4)31-44(51)32-36(46)5;1-10-11-12-13-14-15-16-17-18-19-20-33-21-23-34(24-22-33)39-48-40(35-25-29-37(30-26-35)46-51-42(2,3)43(4,5)52-46)50-41(49-39)36-27-31-38(32-28-36)47-53-44(6,7)45(8,9)54-47;1-2-3-4-5-6-7-8-9-10-11-12-25-13-15-26(16-14-25)31-36-32(27-17-21-29(34)22-18-27)38-33(37-31)28-19-23-30(35)24-20-28;1-5-3-7(10)4-6(2)8(5)9/h17-32H,6-16H2,1-5H3;21-32H,10-20H2,1-9H3;13-24H,2-12H2,1H3;3-4H,1-2H3.

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

2,4-bis[4-(4-bromo-2,6-dimethylphenyl)phenyl]-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2-bromo-5-iodo-1,3-dimethylbenzene;2-(4-dodecylphenyl)-4,6-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine has a molecular weight of 2519.86 g/mol, XLogP of 39.89, 46 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-bis[4-(4-bromo-2,6-dimethylphenyl)phenyl]-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2-bromo-5-iodo-1,3-dimethylbenzene;2-(4-dodecylphenyl)-4,6-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 157351450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).