2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,4-dichloro-6-phenyl-1,3,5-triazine;oxolane

C52H44BCl3N6O5 — CID 158308291

About 2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,4-dichloro-6-phenyl-1,3,5-triazine;oxolane

2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,4-dichloro-6-phenyl-1,3,5-triazine;oxolane (PubChem CID 158308291) has the molecular formula C52H44BCl3N6O5 and a molecular weight of 950.13 g/mol. Its IUPAC name is 2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,4-dichloro-6-phenyl-1,3,5-triazine;oxolane.

Molecular Properties

• Compound Name: 2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,4-dichloro-6-phenyl-1,3,5-triazine;oxolane
• PubChem CID: 158308291
• Molecular Formula: C52H44BCl3N6O5
• Molecular Weight: 950.13 g/mol
• Exact Mass: 948.25
• IUPAC Name: 2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,4-dichloro-6-phenyl-1,3,5-triazine;oxolane
• SMILES: C1CCOC1.CC1(C)OB(c2ccc3c(c2)oc2ccccc23)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccc3c(c2)oc2ccccc23)n1.Clc1nc(Cl)nc(-c2ccccc2)n1
• InChI: InChI=1S/C21H12ClN3O.C18H19BO3.C9H5Cl2N3.C4H8O/c22-21-24-19(13-6-2-1-3-7-13)23-20(25-21)14-10-11-16-15-8-4-5-9-17(15)26-18(16)12-14;1-17(2)18(3,4)22-19(21-17)12-9-10-14-13-7-5-6-8-15(13)20-16(14)11-12;10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6;1-2-4-5-3-1/h1-12H;5-11H,1-4H3;1-5H;1-4H2
• InChIKey: GNJCRYNNSJPIQP-UHFFFAOYSA-N
• XLogP: 13.29
• TPSA: 131.31 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	950.13
LogP ≤ 5	13.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,4-dichloro-6-phenyl-1,3,5-triazine;oxolane?

The IUPAC name of 2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,4-dichloro-6-phenyl-1,3,5-triazine;oxolane (CID 158308291) is 2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,4-dichloro-6-phenyl-1,3,5-triazine;oxolane.

What is the SMILES notation for 2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,4-dichloro-6-phenyl-1,3,5-triazine;oxolane?

The canonical SMILES for 2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,4-dichloro-6-phenyl-1,3,5-triazine;oxolane is C1CCOC1.CC1(C)OB(c2ccc3c(c2)oc2ccccc23)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccc3c(c2)oc2ccccc23)n1.Clc1nc(Cl)nc(-c2ccccc2)n1.

What is the InChIKey of 2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,4-dichloro-6-phenyl-1,3,5-triazine;oxolane?

The InChIKey is GNJCRYNNSJPIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClN3O.C18H19BO3.C9H5Cl2N3.C4H8O/c22-21-24-19(13-6-2-1-3-7-13)23-20(25-21)14-10-11-16-15-8-4-5-9-17(15)26-18(16)12-14;1-17(2)18(3,4)22-19(21-17)12-9-10-14-13-7-5-6-8-15(13)20-16(14)11-12;10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6;1-2-4-5-3-1/h1-12H;5-11H,1-4H3;1-5H;1-4H2.

What are the key properties of 2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,4-dichloro-6-phenyl-1,3,5-triazine;oxolane?

2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,4-dichloro-6-phenyl-1,3,5-triazine;oxolane has a molecular weight of 950.13 g/mol, XLogP of 13.29, 4 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,4-dichloro-6-phenyl-1,3,5-triazine;oxolane is sourced from PubChem (CID 158308291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).