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

C100H74BClN6O4 — CID 158322938

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

2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,2-dioxaborolane (PubChem CID 158322938) has the molecular formula C100H74BClN6O4 and a molecular weight of 1469.99 g/mol. Its IUPAC name is 2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,2-dioxaborolane
• PubChem CID: 158322938
• Molecular Formula: C100H74BClN6O4
• Molecular Weight: 1469.99 g/mol
• Exact Mass: 1468.56
• IUPAC Name: 2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(c2cccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)c2)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccc3c(c2)oc2ccccc23)n1.c1ccc(C(=C(c2ccccc2)c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)c2)c2ccccc2)cc1
• InChI: InChI=1S/C47H31N3O.C32H31BO2.C21H12ClN3O/c1-5-16-32(17-6-1)43(33-18-7-2-8-19-33)44(34-20-9-3-10-21-34)36-24-15-25-37(30-36)46-48-45(35-22-11-4-12-23-35)49-47(50-46)38-28-29-40-39-26-13-14-27-41(39)51-42(40)31-38;1-31(2)32(3,4)35-33(34-31)28-22-14-21-27(23-28)30(26-19-12-7-13-20-26)29(24-15-8-5-9-16-24)25-17-10-6-11-18-25;22-21-24-19(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/h1-31H;5-23H,1-4H3;1-12H
• InChIKey: GPBLOKXJTFWOBH-UHFFFAOYSA-N
• XLogP: 24.53
• TPSA: 122.08 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1469.99
LogP ≤ 5	24.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'stilbene', '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-phenyl-6-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,2-dioxaborolane?

The IUPAC name of 2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,2-dioxaborolane (CID 158322938) is 2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,2-dioxaborolane.

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

The canonical SMILES for 2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,2-dioxaborolane is CC1(C)OB(c2cccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)c2)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccc3c(c2)oc2ccccc23)n1.c1ccc(C(=C(c2ccccc2)c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)c2)c2ccccc2)cc1.

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

The InChIKey is GPBLOKXJTFWOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3O.C32H31BO2.C21H12ClN3O/c1-5-16-32(17-6-1)43(33-18-7-2-8-19-33)44(34-20-9-3-10-21-34)36-24-15-25-37(30-36)46-48-45(35-22-11-4-12-23-35)49-47(50-46)38-28-29-40-39-26-13-14-27-41(39)51-42(40)31-38;1-31(2)32(3,4)35-33(34-31)28-22-14-21-27(23-28)30(26-19-12-7-13-20-26)29(24-15-8-5-9-16-24)25-17-10-6-11-18-25;22-21-24-19(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/h1-31H;5-23H,1-4H3;1-12H.

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

2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,2-dioxaborolane has a molecular weight of 1469.99 g/mol, XLogP of 24.53, 14 rotatable bonds, 0 hydrogen bond donors, and 10 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-phenyl-6-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 158322938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).