2-chloro-4,6-diphenyl-1,3,5-triazine;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[2,1-g][1,3]benzoxazole

C78H56BClN8O4 — CID 161215133

About 2-chloro-4,6-diphenyl-1,3,5-triazine;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[2,1-g][1,3]benzoxazole

2-chloro-4,6-diphenyl-1,3,5-triazine;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[2,1-g][1,3]benzoxazole (PubChem CID 161215133) has the molecular formula C78H56BClN8O4 and a molecular weight of 1215.62 g/mol. Its IUPAC name is 2-chloro-4,6-diphenyl-1,3,5-triazine;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[2,1-g][1,3]benzoxazole.

Molecular Properties

• Compound Name: 2-chloro-4,6-diphenyl-1,3,5-triazine;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[2,1-g][1,3]benzoxazole
• PubChem CID: 161215133
• Molecular Formula: C78H56BClN8O4
• Molecular Weight: 1215.62 g/mol
• Exact Mass: 1214.42
• IUPAC Name: 2-chloro-4,6-diphenyl-1,3,5-triazine;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[2,1-g][1,3]benzoxazole
• SMILES: CC1(C)OB(c2ccc3ccc4ccc5nc(-c6ccccc6)oc5c4c3c2)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5ccc6nc(-c7ccccc7)oc6c5c4c3)n2)cc1
• InChI: InChI=1S/C36H22N4O.C27H24BNO3.C15H10ClN3/c1-4-10-25(11-5-1)33-38-34(26-12-6-2-7-13-26)40-35(39-33)28-19-17-23-16-18-24-20-21-30-32(31(24)29(23)22-28)41-36(37-30)27-14-8-3-9-15-27;1-26(2)27(3,4)32-28(31-26)20-14-12-17-10-11-18-13-15-22-24(23(18)21(17)16-20)30-25(29-22)19-8-6-5-7-9-19;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1-22H;5-16H,1-4H3;1-10H
• InChIKey: UWTJQCNRUIRGNE-UHFFFAOYSA-N
• XLogP: 18.95
• TPSA: 147.86 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1215.62
LogP ≤ 5	18.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-diphenyl-1,3,5-triazine;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[2,1-g][1,3]benzoxazole?

The IUPAC name of 2-chloro-4,6-diphenyl-1,3,5-triazine;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[2,1-g][1,3]benzoxazole (CID 161215133) is 2-chloro-4,6-diphenyl-1,3,5-triazine;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[2,1-g][1,3]benzoxazole.

What is the SMILES notation for 2-chloro-4,6-diphenyl-1,3,5-triazine;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[2,1-g][1,3]benzoxazole?

The canonical SMILES for 2-chloro-4,6-diphenyl-1,3,5-triazine;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[2,1-g][1,3]benzoxazole is CC1(C)OB(c2ccc3ccc4ccc5nc(-c6ccccc6)oc5c4c3c2)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5ccc6nc(-c7ccccc7)oc6c5c4c3)n2)cc1.

What is the InChIKey of 2-chloro-4,6-diphenyl-1,3,5-triazine;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[2,1-g][1,3]benzoxazole?

The InChIKey is UWTJQCNRUIRGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4O.C27H24BNO3.C15H10ClN3/c1-4-10-25(11-5-1)33-38-34(26-12-6-2-7-13-26)40-35(39-33)28-19-17-23-16-18-24-20-21-30-32(31(24)29(23)22-28)41-36(37-30)27-14-8-3-9-15-27;1-26(2)27(3,4)32-28(31-26)20-14-12-17-10-11-18-13-15-22-24(23(18)21(17)16-20)30-25(29-22)19-8-6-5-7-9-19;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1-22H;5-16H,1-4H3;1-10H.

What are the key properties of 2-chloro-4,6-diphenyl-1,3,5-triazine;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[2,1-g][1,3]benzoxazole?

2-chloro-4,6-diphenyl-1,3,5-triazine;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[2,1-g][1,3]benzoxazole has a molecular weight of 1215.62 g/mol, XLogP of 18.95, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4,6-diphenyl-1,3,5-triazine;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[2,1-g][1,3]benzoxazole is sourced from PubChem (CID 161215133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).