2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;bis(2-[9,9-bis(4-methylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane);2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C132H149B6Br2N3O12 — CID 158757345

About 2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;bis(2-[9,9-bis(4-methylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane);2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;bis(2-[9,9-bis(4-methylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane);2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 158757345) has the molecular formula C132H149B6Br2N3O12 and a molecular weight of 2194.33 g/mol. Its IUPAC name is 2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;bis(2-[9,9-bis(4-methylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane);2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;bis(2-[9,9-bis(4-methylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane);2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 158757345
• Molecular Formula: C132H149B6Br2N3O12
• Molecular Weight: 2194.33 g/mol
• Exact Mass: 2192.01
• IUPAC Name: 2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;bis(2-[9,9-bis(4-methylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane);2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: CC1(C)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CCCCCCc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)n2)cc1.Cc1ccc(C2(c3ccc(C)cc3)c3cc(B4OC(C)(C)C(C)(C)O4)ccc3-c3ccc(B4OC(C)(C)C(C)(C)O4)cc32)cc1.Cc1ccc(C2(c3ccc(C)cc3)c3cc(B4OC(C)(C)C(C)(C)O4)ccc3-c3ccc(B4OC(C)(C)C(C)(C)O4)cc32)cc1
• InChI: InChI=1S/2C39H44B2O4.C27H36B2O4.C27H25Br2N3/c2*1-25-11-15-27(16-12-25)39(28-17-13-26(2)14-18-28)33-23-29(40-42-35(3,4)36(5,6)43-40)19-21-31(33)32-22-20-30(24-34(32)39)41-44-37(7,8)38(9,10)45-41;1-23(2)21-15-17(28-30-24(3,4)25(5,6)31-28)11-13-19(21)20-14-12-18(16-22(20)23)29-32-26(7,8)27(9,10)33-29;1-2-3-4-5-6-19-7-9-20(10-8-19)25-30-26(21-11-15-23(28)16-12-21)32-27(31-25)22-13-17-24(29)18-14-22/h2*11-24H,1-10H3;11-16H,1-10H3;7-18H,2-6H2,1H3
• InChIKey: IOFUIVOYMWQCRP-UHFFFAOYSA-N
• XLogP: 27.64
• TPSA: 149.43 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2194.33
LogP ≤ 5	27.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;bis(2-[9,9-bis(4-methylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane);2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of 2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;bis(2-[9,9-bis(4-methylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane);2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 158757345) is 2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;bis(2-[9,9-bis(4-methylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane);2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the SMILES notation for 2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;bis(2-[9,9-bis(4-methylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane);2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The canonical SMILES for 2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;bis(2-[9,9-bis(4-methylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane);2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CCCCCCc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)n2)cc1.Cc1ccc(C2(c3ccc(C)cc3)c3cc(B4OC(C)(C)C(C)(C)O4)ccc3-c3ccc(B4OC(C)(C)C(C)(C)O4)cc32)cc1.Cc1ccc(C2(c3ccc(C)cc3)c3cc(B4OC(C)(C)C(C)(C)O4)ccc3-c3ccc(B4OC(C)(C)C(C)(C)O4)cc32)cc1.

What is the InChIKey of 2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;bis(2-[9,9-bis(4-methylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane);2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The InChIKey is IOFUIVOYMWQCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C39H44B2O4.C27H36B2O4.C27H25Br2N3/c2*1-25-11-15-27(16-12-25)39(28-17-13-26(2)14-18-28)33-23-29(40-42-35(3,4)36(5,6)43-40)19-21-31(33)32-22-20-30(24-34(32)39)41-44-37(7,8)38(9,10)45-41;1-23(2)21-15-17(28-30-24(3,4)25(5,6)31-28)11-13-19(21)20-14-12-18(16-22(20)23)29-32-26(7,8)27(9,10)33-29;1-2-3-4-5-6-19-7-9-20(10-8-19)25-30-26(21-11-15-23(28)16-12-21)32-27(31-25)22-13-17-24(29)18-14-22/h2*11-24H,1-10H3;11-16H,1-10H3;7-18H,2-6H2,1H3.

What are the key properties of 2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;bis(2-[9,9-bis(4-methylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane);2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;bis(2-[9,9-bis(4-methylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane);2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 2194.33 g/mol, XLogP of 27.64, 18 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;bis(2-[9,9-bis(4-methylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane);2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 158757345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).