2-[6-(4-chlorophenyl)-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-pyridinyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C70H70B3ClN8O6 — CID 157127276

About 2-[6-(4-chlorophenyl)-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-pyridinyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

2-[6-(4-chlorophenyl)-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-pyridinyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 157127276) has the molecular formula C70H70B3ClN8O6 and a molecular weight of 1187.27 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-pyridinyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-[6-(4-chlorophenyl)-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-pyridinyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 157127276
• Molecular Formula: C70H70B3ClN8O6
• Molecular Weight: 1187.27 g/mol
• Exact Mass: 1186.54
• IUPAC Name: 2-[6-(4-chlorophenyl)-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-pyridinyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cn3)cc2)OC1(C)C.Clc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cn2)cc1
• InChI: InChI=1S/C32H29BN4O2.C26H17ClN4.C12H24B2O4/c1-31(2)32(3,4)39-33(38-31)26-18-15-22(16-19-26)27-20-17-25(21-34-27)30-36-28(23-11-7-5-8-12-23)35-29(37-30)24-13-9-6-10-14-24;27-22-14-11-18(12-15-22)23-16-13-21(17-28-23)26-30-24(19-7-3-1-4-8-19)29-25(31-26)20-9-5-2-6-10-20;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h5-21H,1-4H3;1-17H;1-8H3
• InChIKey: AIQPBFZHSYAMJD-UHFFFAOYSA-N
• XLogP: 15.07
• TPSA: 158.50 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1187.27
LogP ≤ 5	15.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[6-(4-chlorophenyl)-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-pyridinyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 157127276) is 2-[6-(4-chlorophenyl)-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-pyridinyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

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

The canonical SMILES for 2-[6-(4-chlorophenyl)-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-pyridinyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cn3)cc2)OC1(C)C.Clc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cn2)cc1.

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

The InChIKey is AIQPBFZHSYAMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29BN4O2.C26H17ClN4.C12H24B2O4/c1-31(2)32(3,4)39-33(38-31)26-18-15-22(16-19-26)27-20-17-25(21-34-27)30-36-28(23-11-7-5-8-12-23)35-29(37-30)24-13-9-6-10-14-24;27-22-14-11-18(12-15-22)23-16-13-21(17-28-23)26-30-24(19-7-3-1-4-8-19)29-25(31-26)20-9-5-2-6-10-20;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h5-21H,1-4H3;1-17H;1-8H3.

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

2-[6-(4-chlorophenyl)-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-pyridinyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1187.27 g/mol, XLogP of 15.07, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(4-chlorophenyl)-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-pyridinyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 157127276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).