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

C156H136B4Br2ClIN12O8 — CID 159621737

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

bis(2,4-bis(4-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine);1-bromo-4-(4-iodophenyl)benzene;2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 159621737) has the molecular formula C156H136B4Br2ClIN12O8 and a molecular weight of 2672.29 g/mol. Its IUPAC name is bis(2,4-bis(4-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine);1-bromo-4-(4-iodophenyl)benzene;2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: bis(2,4-bis(4-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine);1-bromo-4-(4-iodophenyl)benzene;2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 159621737
• Molecular Formula: C156H136B4Br2ClIN12O8
• Molecular Weight: 2672.29 g/mol
• Exact Mass: 2668.81
• IUPAC Name: bis(2,4-bis(4-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine);1-bromo-4-(4-iodophenyl)benzene;2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.Brc1ccc(-c2ccc(I)cc2)cc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)OC1(C)C.CC1(C)OB(c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)OC1(C)C.Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccccc3)cc2)n1
• InChI: InChI=1S/C39H26BrN3.2C33H30BN3O2.C27H18ClN3.C12H24B2O4.C12H8BrI/c40-36-25-23-32(24-26-36)31-15-21-35(22-16-31)39-42-37(33-17-11-29(12-18-33)27-7-3-1-4-8-27)41-38(43-39)34-19-13-30(14-20-34)28-9-5-2-6-10-28;2*1-32(2)33(3,4)39-34(38-32)31-36-29(27-19-15-25(16-20-27)23-11-7-5-8-12-23)35-30(37-31)28-21-17-26(18-22-28)24-13-9-6-10-14-24;28-27-30-25(23-15-11-21(12-16-23)19-7-3-1-4-8-19)29-26(31-27)24-17-13-22(14-18-24)20-9-5-2-6-10-20;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-26H;2*5-22H,1-4H3;1-18H;1-8H3;1-8H
• InChIKey: MNZAOAGQGVSZBS-UHFFFAOYSA-N
• XLogP: 38.48
• TPSA: 228.52 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 22
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2672.29
LogP ≤ 5	38.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

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 bis(2,4-bis(4-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine);1-bromo-4-(4-iodophenyl)benzene;2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of bis(2,4-bis(4-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine);1-bromo-4-(4-iodophenyl)benzene;2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 159621737) is bis(2,4-bis(4-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine);1-bromo-4-(4-iodophenyl)benzene;2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

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

The canonical SMILES for bis(2,4-bis(4-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine);1-bromo-4-(4-iodophenyl)benzene;2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.Brc1ccc(-c2ccc(I)cc2)cc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)OC1(C)C.CC1(C)OB(c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)OC1(C)C.Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccccc3)cc2)n1.

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

The InChIKey is MNZAOAGQGVSZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26BrN3.2C33H30BN3O2.C27H18ClN3.C12H24B2O4.C12H8BrI/c40-36-25-23-32(24-26-36)31-15-21-35(22-16-31)39-42-37(33-17-11-29(12-18-33)27-7-3-1-4-8-27)41-38(43-39)34-19-13-30(14-20-34)28-9-5-2-6-10-28;2*1-32(2)33(3,4)39-34(38-32)31-36-29(27-19-15-25(16-20-27)23-11-7-5-8-12-23)35-30(37-31)28-21-17-26(18-22-28)24-13-9-6-10-14-24;28-27-30-25(23-15-11-21(12-16-23)19-7-3-1-4-8-19)29-26(31-27)24-17-13-22(14-18-24)20-9-5-2-6-10-20;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-26H;2*5-22H,1-4H3;1-18H;1-8H3;1-8H.

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

bis(2,4-bis(4-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine);1-bromo-4-(4-iodophenyl)benzene;2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2672.29 g/mol, XLogP of 38.48, 22 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,4-bis(4-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine);1-bromo-4-(4-iodophenyl)benzene;2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 159621737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).