2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;6-chloro-3-(2-fluorophenyl)-2-methoxynaphthalene;6-chloro-3-(2-fluorophenyl)naphthalen-2-ol;6-chloro-3-iodo-2-methoxynaphthalene;chloromethane;9-chloronaphtho[2,3-b][1]benzofuran;(2-fluorophenyl)boronic acid;2-(3-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-naphtho[2,3-b][1]benzofuran-9-yl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C159H130B4BrCl5F3IN6O14 — CID 162199228

About 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;6-chloro-3-(2-fluorophenyl)-2-methoxynaphthalene;6-chloro-3-(2-fluorophenyl)naphthalen-2-ol;6-chloro-3-iodo-2-methoxynaphthalene;chloromethane;9-chloronaphtho[2,3-b][1]benzofuran;(2-fluorophenyl)boronic acid;2-(3-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-naphtho[2,3-b][1]benzofuran-9-yl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;6-chloro-3-(2-fluorophenyl)-2-methoxynaphthalene;6-chloro-3-(2-fluorophenyl)naphthalen-2-ol;6-chloro-3-iodo-2-methoxynaphthalene;chloromethane;9-chloronaphtho[2,3-b][1]benzofuran;(2-fluorophenyl)boronic acid;2-(3-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-naphtho[2,3-b][1]benzofuran-9-yl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 162199228) has the molecular formula C159H130B4BrCl5F3IN6O14 and a molecular weight of 2833.13 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;6-chloro-3-(2-fluorophenyl)-2-methoxynaphthalene;6-chloro-3-(2-fluorophenyl)naphthalen-2-ol;6-chloro-3-iodo-2-methoxynaphthalene;chloromethane;9-chloronaphtho[2,3-b][1]benzofuran;(2-fluorophenyl)boronic acid;2-(3-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-naphtho[2,3-b][1]benzofuran-9-yl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;6-chloro-3-(2-fluorophenyl)-2-methoxynaphthalene;6-chloro-3-(2-fluorophenyl)naphthalen-2-ol;6-chloro-3-iodo-2-methoxynaphthalene;chloromethane;9-chloronaphtho[2,3-b][1]benzofuran;(2-fluorophenyl)boronic acid;2-(3-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-naphtho[2,3-b][1]benzofuran-9-yl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 162199228
• Molecular Formula: C159H130B4BrCl5F3IN6O14
• Molecular Weight: 2833.13 g/mol
• Exact Mass: 2828.66
• IUPAC Name: 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;6-chloro-3-(2-fluorophenyl)-2-methoxynaphthalene;6-chloro-3-(2-fluorophenyl)naphthalen-2-ol;6-chloro-3-iodo-2-methoxynaphthalene;chloromethane;9-chloronaphtho[2,3-b][1]benzofuran;(2-fluorophenyl)boronic acid;2-(3-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-naphtho[2,3-b][1]benzofuran-9-yl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3cc4oc5ccccc5c4cc3c2)OC1(C)C.CCl.COc1cc2ccc(Cl)cc2cc1-c1ccccc1F.COc1cc2ccc(Cl)cc2cc1I.Clc1ccc2cc3oc4ccccc4c3cc2c1.OB(O)c1ccccc1F.Oc1cc2ccc(Cl)cc2cc1-c1ccccc1F.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5cc6oc7ccccc7c6cc5c4)c3)n2)cc1
• InChI: InChI=1S/C37H23N3O.C22H21BO3.C21H14BrN3.C17H12ClFO.C16H10ClFO.C16H9ClO.C12H24B2O4.C11H8ClIO.C6H6BFO2.CH3Cl/c1-3-10-24(11-4-1)35-38-36(25-12-5-2-6-13-25)40-37(39-35)29-15-9-14-26(20-29)27-18-19-28-23-34-32(22-30(28)21-27)31-16-7-8-17-33(31)41-34;1-21(2)22(3,4)26-23(25-21)16-10-9-14-13-20-18(12-15(14)11-16)17-7-5-6-8-19(17)24-20;22-18-13-7-12-17(14-18)21-24-19(15-8-3-1-4-9-15)23-20(25-21)16-10-5-2-6-11-16;1-20-17-10-11-6-7-13(18)8-12(11)9-15(17)14-4-2-3-5-16(14)19;17-12-6-5-10-9-16(19)14(8-11(10)7-12)13-3-1-2-4-15(13)18;17-12-6-5-10-9-16-14(8-11(10)7-12)13-3-1-2-4-15(13)18-16;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-14-11-6-7-2-3-9(12)4-8(7)5-10(11)13;8-6-4-2-1-3-5(6)7(9)10;1-2/h1-23H;5-13H,1-4H3;1-14H;2-10H,1H3;1-9,19H;1-9H;1-8H3;2-6H,1H3;1-4,9-10H;1H3
• InChIKey: ZRIXLTHBNKJYKI-UHFFFAOYSA-N
• XLogP: 42.69
• TPSA: 251.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2833.13
LogP ≤ 5	42.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;6-chloro-3-(2-fluorophenyl)-2-methoxynaphthalene;6-chloro-3-(2-fluorophenyl)naphthalen-2-ol;6-chloro-3-iodo-2-methoxynaphthalene;chloromethane;9-chloronaphtho[2,3-b][1]benzofuran;(2-fluorophenyl)boronic acid;2-(3-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-naphtho[2,3-b][1]benzofuran-9-yl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;6-chloro-3-(2-fluorophenyl)-2-methoxynaphthalene;6-chloro-3-(2-fluorophenyl)naphthalen-2-ol;6-chloro-3-iodo-2-methoxynaphthalene;chloromethane;9-chloronaphtho[2,3-b][1]benzofuran;(2-fluorophenyl)boronic acid;2-(3-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-naphtho[2,3-b][1]benzofuran-9-yl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 162199228) is 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;6-chloro-3-(2-fluorophenyl)-2-methoxynaphthalene;6-chloro-3-(2-fluorophenyl)naphthalen-2-ol;6-chloro-3-iodo-2-methoxynaphthalene;chloromethane;9-chloronaphtho[2,3-b][1]benzofuran;(2-fluorophenyl)boronic acid;2-(3-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-naphtho[2,3-b][1]benzofuran-9-yl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;6-chloro-3-(2-fluorophenyl)-2-methoxynaphthalene;6-chloro-3-(2-fluorophenyl)naphthalen-2-ol;6-chloro-3-iodo-2-methoxynaphthalene;chloromethane;9-chloronaphtho[2,3-b][1]benzofuran;(2-fluorophenyl)boronic acid;2-(3-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-naphtho[2,3-b][1]benzofuran-9-yl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;6-chloro-3-(2-fluorophenyl)-2-methoxynaphthalene;6-chloro-3-(2-fluorophenyl)naphthalen-2-ol;6-chloro-3-iodo-2-methoxynaphthalene;chloromethane;9-chloronaphtho[2,3-b][1]benzofuran;(2-fluorophenyl)boronic acid;2-(3-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-naphtho[2,3-b][1]benzofuran-9-yl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3cc4oc5ccccc5c4cc3c2)OC1(C)C.CCl.COc1cc2ccc(Cl)cc2cc1-c1ccccc1F.COc1cc2ccc(Cl)cc2cc1I.Clc1ccc2cc3oc4ccccc4c3cc2c1.OB(O)c1ccccc1F.Oc1cc2ccc(Cl)cc2cc1-c1ccccc1F.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5cc6oc7ccccc7c6cc5c4)c3)n2)cc1.

What is the InChIKey of 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;6-chloro-3-(2-fluorophenyl)-2-methoxynaphthalene;6-chloro-3-(2-fluorophenyl)naphthalen-2-ol;6-chloro-3-iodo-2-methoxynaphthalene;chloromethane;9-chloronaphtho[2,3-b][1]benzofuran;(2-fluorophenyl)boronic acid;2-(3-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-naphtho[2,3-b][1]benzofuran-9-yl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is ZRIXLTHBNKJYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3O.C22H21BO3.C21H14BrN3.C17H12ClFO.C16H10ClFO.C16H9ClO.C12H24B2O4.C11H8ClIO.C6H6BFO2.CH3Cl/c1-3-10-24(11-4-1)35-38-36(25-12-5-2-6-13-25)40-37(39-35)29-15-9-14-26(20-29)27-18-19-28-23-34-32(22-30(28)21-27)31-16-7-8-17-33(31)41-34;1-21(2)22(3,4)26-23(25-21)16-10-9-14-13-20-18(12-15(14)11-16)17-7-5-6-8-19(17)24-20;22-18-13-7-12-17(14-18)21-24-19(15-8-3-1-4-9-15)23-20(25-21)16-10-5-2-6-11-16;1-20-17-10-11-6-7-13(18)8-12(11)9-15(17)14-4-2-3-5-16(14)19;17-12-6-5-10-9-16(19)14(8-11(10)7-12)13-3-1-2-4-15(13)18;17-12-6-5-10-9-16-14(8-11(10)7-12)13-3-1-2-4-15(13)18-16;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-14-11-6-7-2-3-9(12)4-8(7)5-10(11)13;8-6-4-2-1-3-5(6)7(9)10;1-2/h1-23H;5-13H,1-4H3;1-14H;2-10H,1H3;1-9,19H;1-9H;1-8H3;2-6H,1H3;1-4,9-10H;1H3.

What are the key properties of 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;6-chloro-3-(2-fluorophenyl)-2-methoxynaphthalene;6-chloro-3-(2-fluorophenyl)naphthalen-2-ol;6-chloro-3-iodo-2-methoxynaphthalene;chloromethane;9-chloronaphtho[2,3-b][1]benzofuran;(2-fluorophenyl)boronic acid;2-(3-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-naphtho[2,3-b][1]benzofuran-9-yl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;6-chloro-3-(2-fluorophenyl)-2-methoxynaphthalene;6-chloro-3-(2-fluorophenyl)naphthalen-2-ol;6-chloro-3-iodo-2-methoxynaphthalene;chloromethane;9-chloronaphtho[2,3-b][1]benzofuran;(2-fluorophenyl)boronic acid;2-(3-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-naphtho[2,3-b][1]benzofuran-9-yl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2833.13 g/mol, XLogP of 42.69, 14 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;6-chloro-3-(2-fluorophenyl)-2-methoxynaphthalene;6-chloro-3-(2-fluorophenyl)naphthalen-2-ol;6-chloro-3-iodo-2-methoxynaphthalene;chloromethane;9-chloronaphtho[2,3-b][1]benzofuran;(2-fluorophenyl)boronic acid;2-(3-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-naphtho[2,3-b][1]benzofuran-9-yl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 162199228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).