2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6,8-dichlorodibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6,8-dichlorodibenzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6,8-diphenyldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;methane;phenylboronic acid

C126H98B2Cl5N9O7 — CID 160833171

About 2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6,8-dichlorodibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6,8-dichlorodibenzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6,8-diphenyldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;methane;phenylboronic acid

2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6,8-dichlorodibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6,8-dichlorodibenzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6,8-diphenyldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;methane;phenylboronic acid (PubChem CID 160833171) has the molecular formula C126H98B2Cl5N9O7 and a molecular weight of 2049.11 g/mol. Its IUPAC name is 2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6,8-dichlorodibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6,8-dichlorodibenzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6,8-diphenyldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;methane;phenylboronic acid.

Molecular Properties

• Compound Name: 2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6,8-dichlorodibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6,8-dichlorodibenzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6,8-diphenyldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;methane;phenylboronic acid
• PubChem CID: 160833171
• Molecular Formula: C126H98B2Cl5N9O7
• Molecular Weight: 2049.11 g/mol
• Exact Mass: 2045.62
• IUPAC Name: 2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6,8-dichlorodibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6,8-dichlorodibenzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6,8-diphenyldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;methane;phenylboronic acid
• SMILES: C.C.C.CC1(C)OB(c2cccc3oc4c(Cl)cc(Cl)cc4c23)OC1(C)C.Clc1cc(Cl)c2oc3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)c3c2c1.Clc1nc(-c2ccccc2)nc(-c2cccc(-c3ccccc3)c2)n1.OB(O)c1ccccc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6c(-c7ccccc7)cc(-c7ccccc7)cc6c45)n3)c2)cc1
• InChI: InChI=1S/C45H29N3O.C33H19Cl2N3O.C21H14ClN3.C18H17BCl2O3.C6H7BO2.3CH4/c1-5-15-30(16-6-1)34-23-13-24-35(27-34)44-46-43(33-21-11-4-12-22-33)47-45(48-44)37-25-14-26-40-41(37)39-29-36(31-17-7-2-8-18-31)28-38(42(39)49-40)32-19-9-3-10-20-32;34-24-18-26-29-25(15-8-16-28(29)39-30(26)27(35)19-24)33-37-31(21-11-5-2-6-12-21)36-32(38-33)23-14-7-13-22(17-23)20-9-3-1-4-10-20;22-21-24-19(16-10-5-2-6-11-16)23-20(25-21)18-13-7-12-17(14-18)15-8-3-1-4-9-15;1-17(2)18(3,4)24-19(23-17)12-6-5-7-14-15(12)11-8-10(20)9-13(21)16(11)22-14;8-7(9)6-4-2-1-3-5-6;;;/h1-29H;1-19H;1-14H;5-9H,1-4H3;1-5,8-9H;3*1H4
• InChIKey: SHBKZUIEPHPAIA-UHFFFAOYSA-N
• XLogP: 33.51
• TPSA: 214.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2049.11
LogP ≤ 5	33.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6,8-dichlorodibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6,8-dichlorodibenzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6,8-diphenyldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;methane;phenylboronic acid?

The IUPAC name of 2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6,8-dichlorodibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6,8-dichlorodibenzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6,8-diphenyldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;methane;phenylboronic acid (CID 160833171) is 2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6,8-dichlorodibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6,8-dichlorodibenzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6,8-diphenyldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;methane;phenylboronic acid.

What is the SMILES notation for 2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6,8-dichlorodibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6,8-dichlorodibenzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6,8-diphenyldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;methane;phenylboronic acid?

The canonical SMILES for 2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6,8-dichlorodibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6,8-dichlorodibenzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6,8-diphenyldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;methane;phenylboronic acid is C.C.C.CC1(C)OB(c2cccc3oc4c(Cl)cc(Cl)cc4c23)OC1(C)C.Clc1cc(Cl)c2oc3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)c3c2c1.Clc1nc(-c2ccccc2)nc(-c2cccc(-c3ccccc3)c2)n1.OB(O)c1ccccc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6c(-c7ccccc7)cc(-c7ccccc7)cc6c45)n3)c2)cc1.

What is the InChIKey of 2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6,8-dichlorodibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6,8-dichlorodibenzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6,8-diphenyldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;methane;phenylboronic acid?

The InChIKey is SHBKZUIEPHPAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3O.C33H19Cl2N3O.C21H14ClN3.C18H17BCl2O3.C6H7BO2.3CH4/c1-5-15-30(16-6-1)34-23-13-24-35(27-34)44-46-43(33-21-11-4-12-22-33)47-45(48-44)37-25-14-26-40-41(37)39-29-36(31-17-7-2-8-18-31)28-38(42(39)49-40)32-19-9-3-10-20-32;34-24-18-26-29-25(15-8-16-28(29)39-30(26)27(35)19-24)33-37-31(21-11-5-2-6-12-21)36-32(38-33)23-14-7-13-22(17-23)20-9-3-1-4-10-20;22-21-24-19(16-10-5-2-6-11-16)23-20(25-21)18-13-7-12-17(14-18)15-8-3-1-4-9-15;1-17(2)18(3,4)24-19(23-17)12-6-5-7-14-15(12)11-8-10(20)9-13(21)16(11)22-14;8-7(9)6-4-2-1-3-5-6;;;/h1-29H;1-19H;1-14H;5-9H,1-4H3;1-5,8-9H;3*1H4.

What are the key properties of 2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6,8-dichlorodibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6,8-dichlorodibenzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6,8-diphenyldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;methane;phenylboronic acid?

2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6,8-dichlorodibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6,8-dichlorodibenzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6,8-diphenyldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;methane;phenylboronic acid has a molecular weight of 2049.11 g/mol, XLogP of 33.51, 15 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6,8-dichlorodibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6,8-dichlorodibenzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6,8-diphenyldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;methane;phenylboronic acid is sourced from PubChem (CID 160833171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).