2-chloro-4,6-diphenyl-1,3,5-triazine;2-[3-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-[1,1,1-trifluoro-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]phenyl]-1,3,2-dioxaborolane

C87H76B2ClF6N9O4 — CID 160932439

About 2-chloro-4,6-diphenyl-1,3,5-triazine;2-[3-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-[1,1,1-trifluoro-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]phenyl]-1,3,2-dioxaborolane

2-chloro-4,6-diphenyl-1,3,5-triazine;2-[3-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-[1,1,1-trifluoro-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]phenyl]-1,3,2-dioxaborolane (PubChem CID 160932439) has the molecular formula C87H76B2ClF6N9O4 and a molecular weight of 1482.69 g/mol. Its IUPAC name is 2-chloro-4,6-diphenyl-1,3,5-triazine;2-[3-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-[1,1,1-trifluoro-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]phenyl]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-chloro-4,6-diphenyl-1,3,5-triazine;2-[3-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-[1,1,1-trifluoro-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]phenyl]-1,3,2-dioxaborolane
• PubChem CID: 160932439
• Molecular Formula: C87H76B2ClF6N9O4
• Molecular Weight: 1482.69 g/mol
• Exact Mass: 1481.58
• IUPAC Name: 2-chloro-4,6-diphenyl-1,3,5-triazine;2-[3-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-[1,1,1-trifluoro-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]phenyl]-1,3,2-dioxaborolane
• SMILES: CC(c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1)(c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1)C(F)(F)F.CC1(C)OB(c2cccc(C(C)(c3cccc(B4OC(C)(C)C(C)(C)O4)c3)C(F)(F)F)c2)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1
• InChI: InChI=1S/C45H31F3N6.C27H35B2F3O4.C15H10ClN3/c1-44(45(46,47)48,36-26-14-24-34(28-36)42-51-38(30-16-6-2-7-17-30)49-39(52-42)31-18-8-3-9-19-31)37-27-15-25-35(29-37)43-53-40(32-20-10-4-11-21-32)50-41(54-43)33-22-12-5-13-23-33;1-22(2)23(3,4)34-28(33-22)20-14-10-12-18(16-20)26(9,27(30,31)32)19-13-11-15-21(17-19)29-35-24(5,6)25(7,8)36-29;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h2-29H,1H3;10-17H,1-9H3;1-10H
• InChIKey: STKZRBFODWYYNZ-UHFFFAOYSA-N
• XLogP: 19.94
• TPSA: 152.93 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1482.69
LogP ≤ 5	19.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

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;2-[3-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-[1,1,1-trifluoro-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]phenyl]-1,3,2-dioxaborolane?

The IUPAC name of 2-chloro-4,6-diphenyl-1,3,5-triazine;2-[3-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-[1,1,1-trifluoro-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]phenyl]-1,3,2-dioxaborolane (CID 160932439) is 2-chloro-4,6-diphenyl-1,3,5-triazine;2-[3-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-[1,1,1-trifluoro-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]phenyl]-1,3,2-dioxaborolane.

What is the SMILES notation for 2-chloro-4,6-diphenyl-1,3,5-triazine;2-[3-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-[1,1,1-trifluoro-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]phenyl]-1,3,2-dioxaborolane?

The canonical SMILES for 2-chloro-4,6-diphenyl-1,3,5-triazine;2-[3-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-[1,1,1-trifluoro-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]phenyl]-1,3,2-dioxaborolane is CC(c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1)(c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1)C(F)(F)F.CC1(C)OB(c2cccc(C(C)(c3cccc(B4OC(C)(C)C(C)(C)O4)c3)C(F)(F)F)c2)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.

What is the InChIKey of 2-chloro-4,6-diphenyl-1,3,5-triazine;2-[3-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-[1,1,1-trifluoro-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]phenyl]-1,3,2-dioxaborolane?

The InChIKey is STKZRBFODWYYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31F3N6.C27H35B2F3O4.C15H10ClN3/c1-44(45(46,47)48,36-26-14-24-34(28-36)42-51-38(30-16-6-2-7-17-30)49-39(52-42)31-18-8-3-9-19-31)37-27-15-25-35(29-37)43-53-40(32-20-10-4-11-21-32)50-41(54-43)33-22-12-5-13-23-33;1-22(2)23(3,4)34-28(33-22)20-14-10-12-18(16-20)26(9,27(30,31)32)19-13-11-15-21(17-19)29-35-24(5,6)25(7,8)36-29;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h2-29H,1H3;10-17H,1-9H3;1-10H.

What are the key properties of 2-chloro-4,6-diphenyl-1,3,5-triazine;2-[3-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-[1,1,1-trifluoro-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]phenyl]-1,3,2-dioxaborolane?

2-chloro-4,6-diphenyl-1,3,5-triazine;2-[3-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-[1,1,1-trifluoro-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]phenyl]-1,3,2-dioxaborolane has a molecular weight of 1482.69 g/mol, XLogP of 19.94, 14 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4,6-diphenyl-1,3,5-triazine;2-[3-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-[1,1,1-trifluoro-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]phenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 160932439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).