1-bromo-4-chloronaphthalene;2-(4-chloronaphthalen-1-yl)-9,9-difluorofluorene;(9,9-difluorofluoren-2-yl)boronic acid;2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine

C105H73B2BrCl2F6N6O4 — CID 160854404

About 1-bromo-4-chloronaphthalene;2-(4-chloronaphthalen-1-yl)-9,9-difluorofluorene;(9,9-difluorofluoren-2-yl)boronic acid;2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine

1-bromo-4-chloronaphthalene;2-(4-chloronaphthalen-1-yl)-9,9-difluorofluorene;(9,9-difluorofluoren-2-yl)boronic acid;2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine (PubChem CID 160854404) has the molecular formula C105H73B2BrCl2F6N6O4 and a molecular weight of 1769.20 g/mol. Its IUPAC name is 1-bromo-4-chloronaphthalene;2-(4-chloronaphthalen-1-yl)-9,9-difluorofluorene;(9,9-difluorofluoren-2-yl)boronic acid;2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 1-bromo-4-chloronaphthalene;2-(4-chloronaphthalen-1-yl)-9,9-difluorofluorene;(9,9-difluorofluoren-2-yl)boronic acid;2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine
• PubChem CID: 160854404
• Molecular Formula: C105H73B2BrCl2F6N6O4
• Molecular Weight: 1769.20 g/mol
• Exact Mass: 1766.43
• IUPAC Name: 1-bromo-4-chloronaphthalene;2-(4-chloronaphthalen-1-yl)-9,9-difluorofluorene;(9,9-difluorofluoren-2-yl)boronic acid;2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine
• SMILES: CC1(C)OB(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)OC1(C)C.Clc1ccc(Br)c2ccccc12.FC1(F)c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)cc21.FC1(F)c2ccccc2-c2ccc(-c3ccc(Cl)c4ccccc34)cc21.OB(O)c1ccc2c(c1)C(F)(F)c1ccccc1-2
• InChI: InChI=1S/C38H23F2N3.C23H13ClF2.C21H22BN3O2.C13H9BF2O2.C10H6BrCl/c39-38(40)33-18-10-9-17-30(33)31-20-19-26(23-34(31)38)27-21-22-32(29-16-8-7-15-28(27)29)37-42-35(24-11-3-1-4-12-24)41-36(43-37)25-13-5-2-6-14-25;24-22-12-11-15(16-5-1-2-7-19(16)22)14-9-10-18-17-6-3-4-8-20(17)23(25,26)21(18)13-14;1-20(2)21(3,4)27-22(26-20)19-24-17(15-11-7-5-8-12-15)23-18(25-19)16-13-9-6-10-14-16;15-13(16)11-4-2-1-3-9(11)10-6-5-8(14(17)18)7-12(10)13;11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-23H;1-13H;5-14H,1-4H3;1-7,17-18H;1-6H
• InChIKey: SJRIXLZAKCCWQE-UHFFFAOYSA-N
• XLogP: 26.34
• TPSA: 136.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1769.20
LogP ≤ 5	26.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-chloronaphthalene;2-(4-chloronaphthalen-1-yl)-9,9-difluorofluorene;(9,9-difluorofluoren-2-yl)boronic acid;2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine?

The IUPAC name of 1-bromo-4-chloronaphthalene;2-(4-chloronaphthalen-1-yl)-9,9-difluorofluorene;(9,9-difluorofluoren-2-yl)boronic acid;2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine (CID 160854404) is 1-bromo-4-chloronaphthalene;2-(4-chloronaphthalen-1-yl)-9,9-difluorofluorene;(9,9-difluorofluoren-2-yl)boronic acid;2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine.

What is the SMILES notation for 1-bromo-4-chloronaphthalene;2-(4-chloronaphthalen-1-yl)-9,9-difluorofluorene;(9,9-difluorofluoren-2-yl)boronic acid;2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine?

The canonical SMILES for 1-bromo-4-chloronaphthalene;2-(4-chloronaphthalen-1-yl)-9,9-difluorofluorene;(9,9-difluorofluoren-2-yl)boronic acid;2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine is CC1(C)OB(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)OC1(C)C.Clc1ccc(Br)c2ccccc12.FC1(F)c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)cc21.FC1(F)c2ccccc2-c2ccc(-c3ccc(Cl)c4ccccc34)cc21.OB(O)c1ccc2c(c1)C(F)(F)c1ccccc1-2.

What is the InChIKey of 1-bromo-4-chloronaphthalene;2-(4-chloronaphthalen-1-yl)-9,9-difluorofluorene;(9,9-difluorofluoren-2-yl)boronic acid;2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine?

The InChIKey is SJRIXLZAKCCWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23F2N3.C23H13ClF2.C21H22BN3O2.C13H9BF2O2.C10H6BrCl/c39-38(40)33-18-10-9-17-30(33)31-20-19-26(23-34(31)38)27-21-22-32(29-16-8-7-15-28(27)29)37-42-35(24-11-3-1-4-12-24)41-36(43-37)25-13-5-2-6-14-25;24-22-12-11-15(16-5-1-2-7-19(16)22)14-9-10-18-17-6-3-4-8-20(17)23(25,26)21(18)13-14;1-20(2)21(3,4)27-22(26-20)19-24-17(15-11-7-5-8-12-15)23-18(25-19)16-13-9-6-10-14-16;15-13(16)11-4-2-1-3-9(11)10-6-5-8(14(17)18)7-12(10)13;11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-23H;1-13H;5-14H,1-4H3;1-7,17-18H;1-6H.

What are the key properties of 1-bromo-4-chloronaphthalene;2-(4-chloronaphthalen-1-yl)-9,9-difluorofluorene;(9,9-difluorofluoren-2-yl)boronic acid;2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine?

1-bromo-4-chloronaphthalene;2-(4-chloronaphthalen-1-yl)-9,9-difluorofluorene;(9,9-difluorofluoren-2-yl)boronic acid;2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine has a molecular weight of 1769.20 g/mol, XLogP of 26.34, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-4-chloronaphthalene;2-(4-chloronaphthalen-1-yl)-9,9-difluorofluorene;(9,9-difluorofluoren-2-yl)boronic acid;2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine is sourced from PubChem (CID 160854404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).