2-chloro-4-methoxy-6-(4-phenylmethoxyphenyl)-1,3,5-triazine;2-methoxy-4-[2-(methoxymethoxy)-6-(trifluoromethyl)phenyl]-6-(4-phenylmethoxyphenyl)-1,3,5-triazine;2-[2-(methoxymethoxy)-6-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C58H56BClF6N6O10 — CID 158332878

About 2-chloro-4-methoxy-6-(4-phenylmethoxyphenyl)-1,3,5-triazine;2-methoxy-4-[2-(methoxymethoxy)-6-(trifluoromethyl)phenyl]-6-(4-phenylmethoxyphenyl)-1,3,5-triazine;2-[2-(methoxymethoxy)-6-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-chloro-4-methoxy-6-(4-phenylmethoxyphenyl)-1,3,5-triazine;2-methoxy-4-[2-(methoxymethoxy)-6-(trifluoromethyl)phenyl]-6-(4-phenylmethoxyphenyl)-1,3,5-triazine;2-[2-(methoxymethoxy)-6-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 158332878) has the molecular formula C58H56BClF6N6O10 and a molecular weight of 1157.37 g/mol. Its IUPAC name is 2-chloro-4-methoxy-6-(4-phenylmethoxyphenyl)-1,3,5-triazine;2-methoxy-4-[2-(methoxymethoxy)-6-(trifluoromethyl)phenyl]-6-(4-phenylmethoxyphenyl)-1,3,5-triazine;2-[2-(methoxymethoxy)-6-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-chloro-4-methoxy-6-(4-phenylmethoxyphenyl)-1,3,5-triazine;2-methoxy-4-[2-(methoxymethoxy)-6-(trifluoromethyl)phenyl]-6-(4-phenylmethoxyphenyl)-1,3,5-triazine;2-[2-(methoxymethoxy)-6-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 158332878
• Molecular Formula: C58H56BClF6N6O10
• Molecular Weight: 1157.37 g/mol
• Exact Mass: 1156.37
• IUPAC Name: 2-chloro-4-methoxy-6-(4-phenylmethoxyphenyl)-1,3,5-triazine;2-methoxy-4-[2-(methoxymethoxy)-6-(trifluoromethyl)phenyl]-6-(4-phenylmethoxyphenyl)-1,3,5-triazine;2-[2-(methoxymethoxy)-6-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: COCOc1cccc(C(F)(F)F)c1-c1nc(OC)nc(-c2ccc(OCc3ccccc3)cc2)n1.COCOc1cccc(C(F)(F)F)c1B1OC(C)(C)C(C)(C)O1.COc1nc(Cl)nc(-c2ccc(OCc3ccccc3)cc2)n1
• InChI: InChI=1S/C26H22F3N3O4.C17H14ClN3O2.C15H20BF3O4/c1-33-16-36-21-10-6-9-20(26(27,28)29)22(21)24-30-23(31-25(32-24)34-2)18-11-13-19(14-12-18)35-15-17-7-4-3-5-8-17;1-22-17-20-15(19-16(18)21-17)13-7-9-14(10-8-13)23-11-12-5-3-2-4-6-12;1-13(2)14(3,4)23-16(22-13)12-10(15(17,18)19)7-6-8-11(12)21-9-20-5/h3-14H,15-16H2,1-2H3;2-10H,11H2,1H3;6-8H,9H2,1-5H3
• InChIKey: GQFKWNJODADMIP-UHFFFAOYSA-N
• XLogP: 12.56
• TPSA: 169.64 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1157.37
LogP ≤ 5	12.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-6-(4-phenylmethoxyphenyl)-1,3,5-triazine;2-methoxy-4-[2-(methoxymethoxy)-6-(trifluoromethyl)phenyl]-6-(4-phenylmethoxyphenyl)-1,3,5-triazine;2-[2-(methoxymethoxy)-6-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of 2-chloro-4-methoxy-6-(4-phenylmethoxyphenyl)-1,3,5-triazine;2-methoxy-4-[2-(methoxymethoxy)-6-(trifluoromethyl)phenyl]-6-(4-phenylmethoxyphenyl)-1,3,5-triazine;2-[2-(methoxymethoxy)-6-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 158332878) is 2-chloro-4-methoxy-6-(4-phenylmethoxyphenyl)-1,3,5-triazine;2-methoxy-4-[2-(methoxymethoxy)-6-(trifluoromethyl)phenyl]-6-(4-phenylmethoxyphenyl)-1,3,5-triazine;2-[2-(methoxymethoxy)-6-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the SMILES notation for 2-chloro-4-methoxy-6-(4-phenylmethoxyphenyl)-1,3,5-triazine;2-methoxy-4-[2-(methoxymethoxy)-6-(trifluoromethyl)phenyl]-6-(4-phenylmethoxyphenyl)-1,3,5-triazine;2-[2-(methoxymethoxy)-6-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The canonical SMILES for 2-chloro-4-methoxy-6-(4-phenylmethoxyphenyl)-1,3,5-triazine;2-methoxy-4-[2-(methoxymethoxy)-6-(trifluoromethyl)phenyl]-6-(4-phenylmethoxyphenyl)-1,3,5-triazine;2-[2-(methoxymethoxy)-6-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COCOc1cccc(C(F)(F)F)c1-c1nc(OC)nc(-c2ccc(OCc3ccccc3)cc2)n1.COCOc1cccc(C(F)(F)F)c1B1OC(C)(C)C(C)(C)O1.COc1nc(Cl)nc(-c2ccc(OCc3ccccc3)cc2)n1.

What is the InChIKey of 2-chloro-4-methoxy-6-(4-phenylmethoxyphenyl)-1,3,5-triazine;2-methoxy-4-[2-(methoxymethoxy)-6-(trifluoromethyl)phenyl]-6-(4-phenylmethoxyphenyl)-1,3,5-triazine;2-[2-(methoxymethoxy)-6-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The InChIKey is GQFKWNJODADMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3O4.C17H14ClN3O2.C15H20BF3O4/c1-33-16-36-21-10-6-9-20(26(27,28)29)22(21)24-30-23(31-25(32-24)34-2)18-11-13-19(14-12-18)35-15-17-7-4-3-5-8-17;1-22-17-20-15(19-16(18)21-17)13-7-9-14(10-8-13)23-11-12-5-3-2-4-6-12;1-13(2)14(3,4)23-16(22-13)12-10(15(17,18)19)7-6-8-11(12)21-9-20-5/h3-14H,15-16H2,1-2H3;2-10H,11H2,1H3;6-8H,9H2,1-5H3.

What are the key properties of 2-chloro-4-methoxy-6-(4-phenylmethoxyphenyl)-1,3,5-triazine;2-methoxy-4-[2-(methoxymethoxy)-6-(trifluoromethyl)phenyl]-6-(4-phenylmethoxyphenyl)-1,3,5-triazine;2-[2-(methoxymethoxy)-6-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

2-chloro-4-methoxy-6-(4-phenylmethoxyphenyl)-1,3,5-triazine;2-methoxy-4-[2-(methoxymethoxy)-6-(trifluoromethyl)phenyl]-6-(4-phenylmethoxyphenyl)-1,3,5-triazine;2-[2-(methoxymethoxy)-6-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 1157.37 g/mol, XLogP of 12.56, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-methoxy-6-(4-phenylmethoxyphenyl)-1,3,5-triazine;2-methoxy-4-[2-(methoxymethoxy)-6-(trifluoromethyl)phenyl]-6-(4-phenylmethoxyphenyl)-1,3,5-triazine;2-[2-(methoxymethoxy)-6-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 158332878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).