2-chloro-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C84H62BClN6O4 — CID 161330237

About 2-chloro-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-chloro-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 161330237) has the molecular formula C84H62BClN6O4 and a molecular weight of 1265.72 g/mol. Its IUPAC name is 2-chloro-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-chloro-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 161330237
• Molecular Formula: C84H62BClN6O4
• Molecular Weight: 1265.72 g/mol
• Exact Mass: 1264.46
• IUPAC Name: 2-chloro-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(c2ccc3c(c2)oc2c(-c4ccccc4)cc(-c4ccccc4)cc23)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2cc(-c3ccccc3)c3oc4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4c3c2)cc1
• InChI: InChI=1S/C39H25N3O.C30H27BO3.C15H10ClN3/c1-5-13-26(14-6-1)31-23-33(27-15-7-2-8-16-27)36-34(24-31)32-22-21-30(25-35(32)43-36)39-41-37(28-17-9-3-10-18-28)40-38(42-39)29-19-11-4-12-20-29;1-29(2)30(3,4)34-31(33-29)23-15-16-24-26-18-22(20-11-7-5-8-12-20)17-25(21-13-9-6-10-14-21)28(26)32-27(24)19-23;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1-25H;5-19H,1-4H3;1-10H
• InChIKey: VLHYCWJGDBJSBZ-UHFFFAOYSA-N
• XLogP: 21.18
• TPSA: 122.08 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1265.72
LogP ≤ 5	21.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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-(6,8-diphenyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of 2-chloro-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 161330237) is 2-chloro-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the SMILES notation for 2-chloro-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The canonical SMILES for 2-chloro-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(c2ccc3c(c2)oc2c(-c4ccccc4)cc(-c4ccccc4)cc23)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2cc(-c3ccccc3)c3oc4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4c3c2)cc1.

What is the InChIKey of 2-chloro-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The InChIKey is VLHYCWJGDBJSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3O.C30H27BO3.C15H10ClN3/c1-5-13-26(14-6-1)31-23-33(27-15-7-2-8-16-27)36-34(24-31)32-22-21-30(25-35(32)43-36)39-41-37(28-17-9-3-10-18-28)40-38(42-39)29-19-11-4-12-20-29;1-29(2)30(3,4)34-31(33-29)23-15-16-24-26-18-22(20-11-7-5-8-12-20)17-25(21-13-9-6-10-14-21)28(26)32-27(24)19-23;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1-25H;5-19H,1-4H3;1-10H.

What are the key properties of 2-chloro-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

2-chloro-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 1265.72 g/mol, XLogP of 21.18, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 161330237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).