2,4-bis[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;4,6-dimethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine

C60H55BCl2N12O2 — CID 160563763

About 2,4-bis[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;4,6-dimethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine

2,4-bis[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;4,6-dimethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine (PubChem CID 160563763) has the molecular formula C60H55BCl2N12O2 and a molecular weight of 1057.90 g/mol. Its IUPAC name is 2,4-bis[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;4,6-dimethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine.

Molecular Properties

• Compound Name: 2,4-bis[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;4,6-dimethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
• PubChem CID: 160563763
• Molecular Formula: C60H55BCl2N12O2
• Molecular Weight: 1057.90 g/mol
• Exact Mass: 1056.40
• IUPAC Name: 2,4-bis[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;4,6-dimethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
• SMILES: Cc1cc(C)nc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5nc(C)cc(C)n5)cc4)n3)cc2)n1.Cc1cc(C)nc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)n1.Clc1nc(Cl)nc(-c2ccccc2)n1
• InChI: InChI=1S/C33H27N7.C18H23BN2O2.C9H5Cl2N3/c1-20-18-21(2)35-29(34-20)25-10-14-27(15-11-25)32-38-31(24-8-6-5-7-9-24)39-33(40-32)28-16-12-26(13-17-28)30-36-22(3)19-23(4)37-30;1-12-11-13(2)21-16(20-12)14-7-9-15(10-8-14)19-22-17(3,4)18(5,6)23-19;10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h5-19H,1-4H3;7-11H,1-6H3;1-5H
• InChIKey: QZQQEVAZGHGGBS-UHFFFAOYSA-N
• XLogP: 12.93
• TPSA: 173.14 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1057.90
LogP ≤ 5	12.93
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 2,4-bis[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;4,6-dimethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine?

The IUPAC name of 2,4-bis[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;4,6-dimethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine (CID 160563763) is 2,4-bis[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;4,6-dimethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine.

What is the SMILES notation for 2,4-bis[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;4,6-dimethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine?

The canonical SMILES for 2,4-bis[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;4,6-dimethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine is Cc1cc(C)nc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5nc(C)cc(C)n5)cc4)n3)cc2)n1.Cc1cc(C)nc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)n1.Clc1nc(Cl)nc(-c2ccccc2)n1.

What is the InChIKey of 2,4-bis[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;4,6-dimethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine?

The InChIKey is QZQQEVAZGHGGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N7.C18H23BN2O2.C9H5Cl2N3/c1-20-18-21(2)35-29(34-20)25-10-14-27(15-11-25)32-38-31(24-8-6-5-7-9-24)39-33(40-32)28-16-12-26(13-17-28)30-36-22(3)19-23(4)37-30;1-12-11-13(2)21-16(20-12)14-7-9-15(10-8-14)19-22-17(3,4)18(5,6)23-19;10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h5-19H,1-4H3;7-11H,1-6H3;1-5H.

What are the key properties of 2,4-bis[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;4,6-dimethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine?

2,4-bis[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;4,6-dimethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine has a molecular weight of 1057.90 g/mol, XLogP of 12.93, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-bis[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;4,6-dimethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine is sourced from PubChem (CID 160563763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).