2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine

C102H75BBr2N12O2 — CID 159280875

About 2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine

2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine (PubChem CID 159280875) has the molecular formula C102H75BBr2N12O2 and a molecular weight of 1671.42 g/mol. Its IUPAC name is 2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine.

Molecular Properties

• Compound Name: 2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
• PubChem CID: 159280875
• Molecular Formula: C102H75BBr2N12O2
• Molecular Weight: 1671.42 g/mol
• Exact Mass: 1668.46
• IUPAC Name: 2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
• SMILES: Brc1cc(Br)cc(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4ccccc4)c3)n2)c1.CC1(C)OB(c2ccc(-c3ncccn3)cc2)OC1(C)C.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cc(-c5ccc(-c6ncccn6)cc5)cc(-c5ccc(-c6ncccn6)cc5)c4)n3)c2)cc1
• InChI: InChI=1S/C53H35N7.C33H21Br2N3.C16H19BN2O2/c1-3-11-36(12-4-1)42-15-7-17-44(31-42)51-58-52(45-18-8-16-43(32-45)37-13-5-2-6-14-37)60-53(59-51)48-34-46(38-19-23-40(24-20-38)49-54-27-9-28-55-49)33-47(35-48)39-21-25-41(26-22-39)50-56-29-10-30-57-50;34-29-19-28(20-30(35)21-29)33-37-31(26-15-7-13-24(17-26)22-9-3-1-4-10-22)36-32(38-33)27-16-8-14-25(18-27)23-11-5-2-6-12-23;1-15(2)16(3,4)21-17(20-15)13-8-6-12(7-9-13)14-18-10-5-11-19-14/h1-35H;1-21H;5-11H,1-4H3
• InChIKey: KYXAXDILUWHXRM-UHFFFAOYSA-N
• XLogP: 24.63
• TPSA: 173.14 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1671.42
LogP ≤ 5	24.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine?

The IUPAC name of 2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine (CID 159280875) is 2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine.

What is the SMILES notation for 2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine?

The canonical SMILES for 2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine is Brc1cc(Br)cc(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4ccccc4)c3)n2)c1.CC1(C)OB(c2ccc(-c3ncccn3)cc2)OC1(C)C.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cc(-c5ccc(-c6ncccn6)cc5)cc(-c5ccc(-c6ncccn6)cc5)c4)n3)c2)cc1.

What is the InChIKey of 2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine?

The InChIKey is KYXAXDILUWHXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N7.C33H21Br2N3.C16H19BN2O2/c1-3-11-36(12-4-1)42-15-7-17-44(31-42)51-58-52(45-18-8-16-43(32-45)37-13-5-2-6-14-37)60-53(59-51)48-34-46(38-19-23-40(24-20-38)49-54-27-9-28-55-49)33-47(35-48)39-21-25-41(26-22-39)50-56-29-10-30-57-50;34-29-19-28(20-30(35)21-29)33-37-31(26-15-7-13-24(17-26)22-9-3-1-4-10-22)36-32(38-33)27-16-8-14-25(18-27)23-11-5-2-6-12-23;1-15(2)16(3,4)21-17(20-15)13-8-6-12(7-9-13)14-18-10-5-11-19-14/h1-35H;1-21H;5-11H,1-4H3.

What are the key properties of 2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine?

2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine has a molecular weight of 1671.42 g/mol, XLogP of 24.63, 16 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine is sourced from PubChem (CID 159280875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).