2-(8-chlorodibenzofuran-3-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]-1,3,5-triazine;methane

C74H56BClN6O6 — CID 162009781

About 2-(8-chlorodibenzofuran-3-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]-1,3,5-triazine;methane

2-(8-chlorodibenzofuran-3-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]-1,3,5-triazine;methane (PubChem CID 162009781) has the molecular formula C74H56BClN6O6 and a molecular weight of 1171.56 g/mol. Its IUPAC name is 2-(8-chlorodibenzofuran-3-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]-1,3,5-triazine;methane.

Molecular Properties

• Compound Name: 2-(8-chlorodibenzofuran-3-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]-1,3,5-triazine;methane
• PubChem CID: 162009781
• Molecular Formula: C74H56BClN6O6
• Molecular Weight: 1171.56 g/mol
• Exact Mass: 1170.40
• IUPAC Name: 2-(8-chlorodibenzofuran-3-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]-1,3,5-triazine;methane
• SMILES: C.C.CC1(C)OB(c2ccc3oc4cc(-c5nc(-c6ccccc6)nc(-c6ccc7oc8ccccc8c7c6)n5)ccc4c3c2)OC1(C)C.Clc1ccc2oc3cc(-c4nc(-c5ccccc5)nc(-c5ccc6oc7ccccc7c6c5)n4)ccc3c2c1
• InChI: InChI=1S/C39H30BN3O4.C33H18ClN3O2.2CH4/c1-38(2)39(3,4)47-40(46-38)26-16-19-33-30(22-26)28-17-14-25(21-34(28)45-33)37-42-35(23-10-6-5-7-11-23)41-36(43-37)24-15-18-32-29(20-24)27-12-8-9-13-31(27)44-32;34-22-12-15-29-26(18-22)24-13-10-21(17-30(24)39-29)33-36-31(19-6-2-1-3-7-19)35-32(37-33)20-11-14-28-25(16-20)23-8-4-5-9-27(23)38-28;;/h5-22H,1-4H3;1-18H;2*1H4
• InChIKey: YTHXVUBQGIOCQL-UHFFFAOYSA-N
• XLogP: 19.57
• TPSA: 148.36 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1171.56
LogP ≤ 5	19.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(8-chlorodibenzofuran-3-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]-1,3,5-triazine;methane?

The IUPAC name of 2-(8-chlorodibenzofuran-3-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]-1,3,5-triazine;methane (CID 162009781) is 2-(8-chlorodibenzofuran-3-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]-1,3,5-triazine;methane.

What is the SMILES notation for 2-(8-chlorodibenzofuran-3-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]-1,3,5-triazine;methane?

The canonical SMILES for 2-(8-chlorodibenzofuran-3-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]-1,3,5-triazine;methane is C.C.CC1(C)OB(c2ccc3oc4cc(-c5nc(-c6ccccc6)nc(-c6ccc7oc8ccccc8c7c6)n5)ccc4c3c2)OC1(C)C.Clc1ccc2oc3cc(-c4nc(-c5ccccc5)nc(-c5ccc6oc7ccccc7c6c5)n4)ccc3c2c1.

What is the InChIKey of 2-(8-chlorodibenzofuran-3-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]-1,3,5-triazine;methane?

The InChIKey is YTHXVUBQGIOCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30BN3O4.C33H18ClN3O2.2CH4/c1-38(2)39(3,4)47-40(46-38)26-16-19-33-30(22-26)28-17-14-25(21-34(28)45-33)37-42-35(23-10-6-5-7-11-23)41-36(43-37)24-15-18-32-29(20-24)27-12-8-9-13-31(27)44-32;34-22-12-15-29-26(18-22)24-13-10-21(17-30(24)39-29)33-36-31(19-6-2-1-3-7-19)35-32(37-33)20-11-14-28-25(16-20)23-8-4-5-9-27(23)38-28;;/h5-22H,1-4H3;1-18H;2*1H4.

What are the key properties of 2-(8-chlorodibenzofuran-3-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]-1,3,5-triazine;methane?

2-(8-chlorodibenzofuran-3-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]-1,3,5-triazine;methane has a molecular weight of 1171.56 g/mol, XLogP of 19.57, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8-chlorodibenzofuran-3-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]-1,3,5-triazine;methane is sourced from PubChem (CID 162009781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).