2-chloro-4,6-diphenyl-1,3,5-triazine;bis(2-(5-chloro-2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine);2-(5-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-3-fluorobenzonitrile;3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;methane

C111H86B2Cl4F6N14O4 — CID 160557107

About 2-chloro-4,6-diphenyl-1,3,5-triazine;bis(2-(5-chloro-2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine);2-(5-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-3-fluorobenzonitrile;3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;methane

2-chloro-4,6-diphenyl-1,3,5-triazine;bis(2-(5-chloro-2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine);2-(5-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-3-fluorobenzonitrile;3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;methane (PubChem CID 160557107) has the molecular formula C111H86B2Cl4F6N14O4 and a molecular weight of 1957.43 g/mol. Its IUPAC name is 2-chloro-4,6-diphenyl-1,3,5-triazine;bis(2-(5-chloro-2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine);2-(5-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-3-fluorobenzonitrile;3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;methane.

Molecular Properties

• Compound Name: 2-chloro-4,6-diphenyl-1,3,5-triazine;bis(2-(5-chloro-2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine);2-(5-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-3-fluorobenzonitrile;3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;methane
• PubChem CID: 160557107
• Molecular Formula: C111H86B2Cl4F6N14O4
• Molecular Weight: 1957.43 g/mol
• Exact Mass: 1954.58
• IUPAC Name: 2-chloro-4,6-diphenyl-1,3,5-triazine;bis(2-(5-chloro-2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine);2-(5-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-3-fluorobenzonitrile;3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;methane
• SMILES: C.CC1(C)OB(c2cc(Cl)ccc2F)OC1(C)C.CC1(C)OB(c2ccc(C#N)cc2F)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.Fc1ccc(Cl)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.Fc1ccc(Cl)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.N#Cc1ccc(-c2ccc(F)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(F)c1
• InChI: InChI=1S/C28H16F2N4.2C21H13ClFN3.C15H10ClN3.C13H15BFNO2.C12H15BClFO2.CH4/c29-24-14-12-21(22-13-11-18(17-31)15-25(22)30)16-23(24)28-33-26(19-7-3-1-4-8-19)32-27(34-28)20-9-5-2-6-10-20;2*22-16-11-12-18(23)17(13-16)21-25-19(14-7-3-1-4-8-14)24-20(26-21)15-9-5-2-6-10-15;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12;1-12(2)13(3,4)18-14(17-12)10-6-5-9(8-16)7-11(10)15;1-11(2)12(3,4)17-13(16-11)9-7-8(14)5-6-10(9)15;/h1-16H;2*1-13H;1-10H;5-7H,1-4H3;5-7H,1-4H3;1H4
• InChIKey: QYVFWRKHFPCNAR-UHFFFAOYSA-N
• XLogP: 27.29
• TPSA: 239.18 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1957.43
LogP ≤ 5	27.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-diphenyl-1,3,5-triazine;bis(2-(5-chloro-2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine);2-(5-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-3-fluorobenzonitrile;3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;methane?

The IUPAC name of 2-chloro-4,6-diphenyl-1,3,5-triazine;bis(2-(5-chloro-2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine);2-(5-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-3-fluorobenzonitrile;3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;methane (CID 160557107) is 2-chloro-4,6-diphenyl-1,3,5-triazine;bis(2-(5-chloro-2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine);2-(5-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-3-fluorobenzonitrile;3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;methane.

What is the SMILES notation for 2-chloro-4,6-diphenyl-1,3,5-triazine;bis(2-(5-chloro-2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine);2-(5-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-3-fluorobenzonitrile;3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;methane?

The canonical SMILES for 2-chloro-4,6-diphenyl-1,3,5-triazine;bis(2-(5-chloro-2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine);2-(5-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-3-fluorobenzonitrile;3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;methane is C.CC1(C)OB(c2cc(Cl)ccc2F)OC1(C)C.CC1(C)OB(c2ccc(C#N)cc2F)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.Fc1ccc(Cl)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.Fc1ccc(Cl)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.N#Cc1ccc(-c2ccc(F)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(F)c1.

What is the InChIKey of 2-chloro-4,6-diphenyl-1,3,5-triazine;bis(2-(5-chloro-2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine);2-(5-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-3-fluorobenzonitrile;3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;methane?

The InChIKey is QYVFWRKHFPCNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16F2N4.2C21H13ClFN3.C15H10ClN3.C13H15BFNO2.C12H15BClFO2.CH4/c29-24-14-12-21(22-13-11-18(17-31)15-25(22)30)16-23(24)28-33-26(19-7-3-1-4-8-19)32-27(34-28)20-9-5-2-6-10-20;2*22-16-11-12-18(23)17(13-16)21-25-19(14-7-3-1-4-8-14)24-20(26-21)15-9-5-2-6-10-15;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12;1-12(2)13(3,4)18-14(17-12)10-6-5-9(8-16)7-11(10)15;1-11(2)12(3,4)17-13(16-11)9-7-8(14)5-6-10(9)15;/h1-16H;2*1-13H;1-10H;5-7H,1-4H3;5-7H,1-4H3;1H4.

What are the key properties of 2-chloro-4,6-diphenyl-1,3,5-triazine;bis(2-(5-chloro-2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine);2-(5-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-3-fluorobenzonitrile;3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;methane?

2-chloro-4,6-diphenyl-1,3,5-triazine;bis(2-(5-chloro-2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine);2-(5-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-3-fluorobenzonitrile;3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;methane has a molecular weight of 1957.43 g/mol, XLogP of 27.29, 14 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4,6-diphenyl-1,3,5-triazine;bis(2-(5-chloro-2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine);2-(5-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-3-fluorobenzonitrile;3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;methane is sourced from PubChem (CID 160557107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).