2,4-bis(4-chlorophenyl)-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[4-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,2-dioxaborolane

C126H95BCl2N6O2 — CID 157387070

About 2,4-bis(4-chlorophenyl)-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[4-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,2-dioxaborolane

2,4-bis(4-chlorophenyl)-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[4-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,2-dioxaborolane (PubChem CID 157387070) has the molecular formula C126H95BCl2N6O2 and a molecular weight of 1806.90 g/mol. Its IUPAC name is 2,4-bis(4-chlorophenyl)-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[4-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2,4-bis(4-chlorophenyl)-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[4-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,2-dioxaborolane
• PubChem CID: 157387070
• Molecular Formula: C126H95BCl2N6O2
• Molecular Weight: 1806.90 g/mol
• Exact Mass: 1804.70
• IUPAC Name: 2,4-bis(4-chlorophenyl)-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[4-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(c2cccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)c2)OC1(C)C.Clc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(Cl)cc3)n2)cc1.c1ccc(C(=C(c2ccccc2)c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6cccc(C(=C(c7ccccc7)c7ccccc7)c7ccccc7)c6)cc5)n4)cc3)c2)c2ccccc2)cc1
• InChI: InChI=1S/C73H51N3.C32H31BO2.C21H13Cl2N3/c1-8-24-54(25-9-1)67(55-26-10-2-11-27-55)69(58-32-16-5-17-33-58)65-40-22-38-63(50-65)52-42-46-61(47-43-52)72-74-71(60-36-20-7-21-37-60)75-73(76-72)62-48-44-53(45-49-62)64-39-23-41-66(51-64)70(59-34-18-6-19-35-59)68(56-28-12-3-13-29-56)57-30-14-4-15-31-57;1-31(2)32(3,4)35-33(34-31)28-22-14-21-27(23-28)30(26-19-12-7-13-20-26)29(24-15-8-5-9-16-24)25-17-10-6-11-18-25;22-17-10-6-15(7-11-17)20-24-19(14-4-2-1-3-5-14)25-21(26-20)16-8-12-18(23)13-9-16/h1-51H;5-23H,1-4H3;1-13H
• InChIKey: BLOGUJIZSNQTER-UHFFFAOYSA-N
• XLogP: 31.39
• TPSA: 95.80 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 21
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1806.90
LogP ≤ 5	31.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-chlorophenyl)-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[4-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,2-dioxaborolane?

The IUPAC name of 2,4-bis(4-chlorophenyl)-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[4-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,2-dioxaborolane (CID 157387070) is 2,4-bis(4-chlorophenyl)-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[4-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,2-dioxaborolane.

What is the SMILES notation for 2,4-bis(4-chlorophenyl)-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[4-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,2-dioxaborolane?

The canonical SMILES for 2,4-bis(4-chlorophenyl)-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[4-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,2-dioxaborolane is CC1(C)OB(c2cccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)c2)OC1(C)C.Clc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(Cl)cc3)n2)cc1.c1ccc(C(=C(c2ccccc2)c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6cccc(C(=C(c7ccccc7)c7ccccc7)c7ccccc7)c6)cc5)n4)cc3)c2)c2ccccc2)cc1.

What is the InChIKey of 2,4-bis(4-chlorophenyl)-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[4-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,2-dioxaborolane?

The InChIKey is BLOGUJIZSNQTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H51N3.C32H31BO2.C21H13Cl2N3/c1-8-24-54(25-9-1)67(55-26-10-2-11-27-55)69(58-32-16-5-17-33-58)65-40-22-38-63(50-65)52-42-46-61(47-43-52)72-74-71(60-36-20-7-21-37-60)75-73(76-72)62-48-44-53(45-49-62)64-39-23-41-66(51-64)70(59-34-18-6-19-35-59)68(56-28-12-3-13-29-56)57-30-14-4-15-31-57;1-31(2)32(3,4)35-33(34-31)28-22-14-21-27(23-28)30(26-19-12-7-13-20-26)29(24-15-8-5-9-16-24)25-17-10-6-11-18-25;22-17-10-6-15(7-11-17)20-24-19(14-4-2-1-3-5-14)25-21(26-20)16-8-12-18(23)13-9-16/h1-51H;5-23H,1-4H3;1-13H.

What are the key properties of 2,4-bis(4-chlorophenyl)-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[4-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,2-dioxaborolane?

2,4-bis(4-chlorophenyl)-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[4-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,2-dioxaborolane has a molecular weight of 1806.90 g/mol, XLogP of 31.39, 21 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-bis(4-chlorophenyl)-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[4-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 157387070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).