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

C84H79B2Br2ClN12O4 — CID 157171029

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

2,4-bis(4-bromophenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-bis[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-chloro-4,6-dimethylpyrimidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 157171029) has the molecular formula C84H79B2Br2ClN12O4 and a molecular weight of 1537.52 g/mol. Its IUPAC name is 2,4-bis(4-bromophenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-bis[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-chloro-4,6-dimethylpyrimidine;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: 2,4-bis(4-bromophenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-bis[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-chloro-4,6-dimethylpyrimidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 157171029
• Molecular Formula: C84H79B2Br2ClN12O4
• Molecular Weight: 1537.52 g/mol
• Exact Mass: 1534.46
• IUPAC Name: 2,4-bis(4-bromophenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-bis[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-chloro-4,6-dimethylpyrimidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1cc(C)nc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5nc(C)cc(C)n5)cc4)n3)cc2)n1.Cc1cc(C)nc(Cl)n1
• InChI: InChI=1S/C39H31N7.C27H17Br2N3.C12H24B2O4.C6H7ClN2/c1-24-22-25(2)41-35(40-24)30-14-18-33(19-15-30)38-44-37(32-12-10-29(11-13-32)28-8-6-5-7-9-28)45-39(46-38)34-20-16-31(17-21-34)36-42-26(3)23-27(4)43-36;28-23-14-10-21(11-15-23)26-30-25(31-27(32-26)22-12-16-24(29)17-13-22)20-8-6-19(7-9-20)18-4-2-1-3-5-18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-4-3-5(2)9-6(7)8-4/h5-23H,1-4H3;1-17H;1-8H3;3H,1-2H3
• InChIKey: ANLRMAIHRWSKGD-UHFFFAOYSA-N
• XLogP: 20.75
• TPSA: 191.60 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1537.52
LogP ≤ 5	20.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-bromophenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-bis[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-chloro-4,6-dimethylpyrimidine;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 2,4-bis(4-bromophenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-bis[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-chloro-4,6-dimethylpyrimidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 157171029) is 2,4-bis(4-bromophenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-bis[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-chloro-4,6-dimethylpyrimidine;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 2,4-bis(4-bromophenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-bis[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-chloro-4,6-dimethylpyrimidine;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 2,4-bis(4-bromophenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-bis[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-chloro-4,6-dimethylpyrimidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1cc(C)nc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5nc(C)cc(C)n5)cc4)n3)cc2)n1.Cc1cc(C)nc(Cl)n1.

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

The InChIKey is ANLRMAIHRWSKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H31N7.C27H17Br2N3.C12H24B2O4.C6H7ClN2/c1-24-22-25(2)41-35(40-24)30-14-18-33(19-15-30)38-44-37(32-12-10-29(11-13-32)28-8-6-5-7-9-28)45-39(46-38)34-20-16-31(17-21-34)36-42-26(3)23-27(4)43-36;28-23-14-10-21(11-15-23)26-30-25(31-27(32-26)22-12-16-24(29)17-13-22)20-8-6-19(7-9-20)18-4-2-1-3-5-18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-4-3-5(2)9-6(7)8-4/h5-23H,1-4H3;1-17H;1-8H3;3H,1-2H3.

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

2,4-bis(4-bromophenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-bis[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-chloro-4,6-dimethylpyrimidine;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 1537.52 g/mol, XLogP of 20.75, 11 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-bis(4-bromophenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-bis[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-chloro-4,6-dimethylpyrimidine;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 157171029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).