2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine

C110H76BClN12O4 — CID 161246859

About 2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine

2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 161246859) has the molecular formula C110H76BClN12O4 and a molecular weight of 1676.16 g/mol. Its IUPAC name is 2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 161246859
• Molecular Formula: C110H76BClN12O4
• Molecular Weight: 1676.16 g/mol
• Exact Mass: 1674.59
• IUPAC Name: 2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
• SMILES: CC1(C)OB(c2c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)ccc3c2oc2ccccc23)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(oc6ccccc65)c4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)n2)cc1
• InChI: InChI=1S/C52H32N6O.C43H34BN3O3.C15H10ClN3/c1-5-17-33(18-6-1)47-53-48(34-19-7-2-8-20-34)56-51(55-47)43-32-29-39(37-25-13-14-26-38(37)43)41-30-31-42-40-27-15-16-28-44(40)59-46(42)45(41)52-57-49(35-21-9-3-10-22-35)54-50(58-52)36-23-11-4-12-24-36;1-42(2)43(3,4)50-44(49-42)37-33(24-25-34-32-21-13-14-22-36(32)48-38(34)37)31-23-26-35(30-20-12-11-19-29(30)31)41-46-39(27-15-7-5-8-16-27)45-40(47-41)28-17-9-6-10-18-28;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1-32H;5-26H,1-4H3;1-10H
• InChIKey: VATDANVKECYDKB-UHFFFAOYSA-N
• XLogP: 26.53
• TPSA: 199.42 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1676.16
LogP ≤ 5	26.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

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;2,4-diphenyl-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine (CID 161246859) is 2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine is CC1(C)OB(c2c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)ccc3c2oc2ccccc23)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(oc6ccccc65)c4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)n2)cc1.

What is the InChIKey of 2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?

The InChIKey is VATDANVKECYDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N6O.C43H34BN3O3.C15H10ClN3/c1-5-17-33(18-6-1)47-53-48(34-19-7-2-8-20-34)56-51(55-47)43-32-29-39(37-25-13-14-26-38(37)43)41-30-31-42-40-27-15-16-28-44(40)59-46(42)45(41)52-57-49(35-21-9-3-10-22-35)54-50(58-52)36-23-11-4-12-24-36;1-42(2)43(3,4)50-44(49-42)37-33(24-25-34-32-21-13-14-22-36(32)48-38(34)37)31-23-26-35(30-20-12-11-19-29(30)31)41-46-39(27-15-7-5-8-16-27)45-40(47-41)28-17-9-6-10-18-28;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1-32H;5-26H,1-4H3;1-10H.

What are the key properties of 2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?

2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1676.16 g/mol, XLogP of 26.53, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 161246859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).