2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[1-(4-isocyanophenyl)dibenzofuran-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[1-(4-isocyanophenyl)dibenzofuran-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C86H60BClN8O4 — CID 161360379

About 2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[1-(4-isocyanophenyl)dibenzofuran-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[1-(4-isocyanophenyl)dibenzofuran-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[1-(4-isocyanophenyl)dibenzofuran-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[1-(4-isocyanophenyl)dibenzofuran-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 161360379) has the molecular formula C86H60BClN8O4 and a molecular weight of 1315.74 g/mol. Its IUPAC name is 2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[1-(4-isocyanophenyl)dibenzofuran-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[1-(4-isocyanophenyl)dibenzofuran-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[1-(4-isocyanophenyl)dibenzofuran-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[1-(4-isocyanophenyl)dibenzofuran-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 161360379
• Molecular Formula: C86H60BClN8O4
• Molecular Weight: 1315.74 g/mol
• Exact Mass: 1314.45
• IUPAC Name: 2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[1-(4-isocyanophenyl)dibenzofuran-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[1-(4-isocyanophenyl)dibenzofuran-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: Clc1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1.[C-]#[N+]c1ccc(-c2c(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc3oc4ccccc4c23)cc1.[C-]#[N+]c1ccc(-c2c(B3OC(C)(C)C(C)(C)O3)ccc3oc4ccccc4c23)cc1
• InChI: InChI=1S/C40H24N4O.C25H22BNO3.C21H14ClN3/c1-41-31-22-20-28(21-23-31)36-33(24-25-35-37(36)32-14-8-9-15-34(32)45-35)40-43-38(29-12-6-3-7-13-29)42-39(44-40)30-18-16-27(17-19-30)26-10-4-2-5-11-26;1-24(2)25(3,4)30-26(29-24)19-14-15-21-23(18-8-6-7-9-20(18)28-21)22(19)16-10-12-17(27-5)13-11-16;22-21-24-19(17-9-5-2-6-10-17)23-20(25-21)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h2-25H;6-15H,1-4H3;1-14H
• InChIKey: VPCANUCTJUFJRY-UHFFFAOYSA-N
• XLogP: 22.29
• TPSA: 130.80 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1315.74
LogP ≤ 5	22.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[1-(4-isocyanophenyl)dibenzofuran-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[1-(4-isocyanophenyl)dibenzofuran-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of 2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[1-(4-isocyanophenyl)dibenzofuran-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[1-(4-isocyanophenyl)dibenzofuran-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 161360379) is 2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[1-(4-isocyanophenyl)dibenzofuran-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[1-(4-isocyanophenyl)dibenzofuran-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the SMILES notation for 2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[1-(4-isocyanophenyl)dibenzofuran-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[1-(4-isocyanophenyl)dibenzofuran-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The canonical SMILES for 2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[1-(4-isocyanophenyl)dibenzofuran-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[1-(4-isocyanophenyl)dibenzofuran-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is Clc1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1.[C-]#[N+]c1ccc(-c2c(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc3oc4ccccc4c23)cc1.[C-]#[N+]c1ccc(-c2c(B3OC(C)(C)C(C)(C)O3)ccc3oc4ccccc4c23)cc1.

What is the InChIKey of 2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[1-(4-isocyanophenyl)dibenzofuran-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[1-(4-isocyanophenyl)dibenzofuran-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The InChIKey is VPCANUCTJUFJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4O.C25H22BNO3.C21H14ClN3/c1-41-31-22-20-28(21-23-31)36-33(24-25-35-37(36)32-14-8-9-15-34(32)45-35)40-43-38(29-12-6-3-7-13-29)42-39(44-40)30-18-16-27(17-19-30)26-10-4-2-5-11-26;1-24(2)25(3,4)30-26(29-24)19-14-15-21-23(18-8-6-7-9-20(18)28-21)22(19)16-10-12-17(27-5)13-11-16;22-21-24-19(17-9-5-2-6-10-17)23-20(25-21)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h2-25H;6-15H,1-4H3;1-14H.

What are the key properties of 2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[1-(4-isocyanophenyl)dibenzofuran-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[1-(4-isocyanophenyl)dibenzofuran-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[1-(4-isocyanophenyl)dibenzofuran-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[1-(4-isocyanophenyl)dibenzofuran-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 1315.74 g/mol, XLogP of 22.29, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[1-(4-isocyanophenyl)dibenzofuran-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[1-(4-isocyanophenyl)dibenzofuran-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 161360379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).