anthracen-9-ylboronic acid;2-(6-anthracen-9-yl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;3-bromo-6-chloro-9,9-difluorofluorene;9-(6-chloro-9,9-difluorofluoren-3-yl)anthracene;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine

C117H79B2BrCl2F6N6O4 — CID 159578430

About anthracen-9-ylboronic acid;2-(6-anthracen-9-yl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;3-bromo-6-chloro-9,9-difluorofluorene;9-(6-chloro-9,9-difluorofluoren-3-yl)anthracene;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine

anthracen-9-ylboronic acid;2-(6-anthracen-9-yl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;3-bromo-6-chloro-9,9-difluorofluorene;9-(6-chloro-9,9-difluorofluoren-3-yl)anthracene;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine (PubChem CID 159578430) has the molecular formula C117H79B2BrCl2F6N6O4 and a molecular weight of 1919.38 g/mol. Its IUPAC name is anthracen-9-ylboronic acid;2-(6-anthracen-9-yl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;3-bromo-6-chloro-9,9-difluorofluorene;9-(6-chloro-9,9-difluorofluoren-3-yl)anthracene;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: anthracen-9-ylboronic acid;2-(6-anthracen-9-yl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;3-bromo-6-chloro-9,9-difluorofluorene;9-(6-chloro-9,9-difluorofluoren-3-yl)anthracene;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine
• PubChem CID: 159578430
• Molecular Formula: C117H79B2BrCl2F6N6O4
• Molecular Weight: 1919.38 g/mol
• Exact Mass: 1916.48
• IUPAC Name: anthracen-9-ylboronic acid;2-(6-anthracen-9-yl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;3-bromo-6-chloro-9,9-difluorofluorene;9-(6-chloro-9,9-difluorofluoren-3-yl)anthracene;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.FC1(F)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3c4ccccc4cc4ccccc34)ccc21.FC1(F)c2ccc(Cl)cc2-c2cc(-c3c4ccccc4cc4ccccc34)ccc21.FC1(F)c2ccc(Cl)cc2-c2cc(Br)ccc21.OB(O)c1c2ccccc2cc2ccccc12
• InChI: InChI=1S/C42H25F2N3.C27H15ClF2.C21H22BN3O2.C14H11BO2.C13H6BrClF2/c43-42(44)36-21-19-30(38-32-17-9-7-15-28(32)23-29-16-8-10-18-33(29)38)24-34(36)35-25-31(20-22-37(35)42)41-46-39(26-11-3-1-4-12-26)45-40(47-41)27-13-5-2-6-14-27;28-19-10-12-25-23(15-19)22-14-18(9-11-24(22)27(25,29)30)26-20-7-3-1-5-16(20)13-17-6-2-4-8-21(17)26;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;16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;14-7-1-3-11-9(5-7)10-6-8(15)2-4-12(10)13(11,16)17/h1-25H;1-15H;5-14H,1-4H3;1-9,16-17H;1-6H
• InChIKey: MIRXJABQYPCVAK-UHFFFAOYSA-N
• XLogP: 29.80
• TPSA: 136.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1919.38
LogP ≤ 5	29.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of anthracen-9-ylboronic acid;2-(6-anthracen-9-yl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;3-bromo-6-chloro-9,9-difluorofluorene;9-(6-chloro-9,9-difluorofluoren-3-yl)anthracene;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine?

The IUPAC name of anthracen-9-ylboronic acid;2-(6-anthracen-9-yl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;3-bromo-6-chloro-9,9-difluorofluorene;9-(6-chloro-9,9-difluorofluoren-3-yl)anthracene;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine (CID 159578430) is anthracen-9-ylboronic acid;2-(6-anthracen-9-yl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;3-bromo-6-chloro-9,9-difluorofluorene;9-(6-chloro-9,9-difluorofluoren-3-yl)anthracene;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 anthracen-9-ylboronic acid;2-(6-anthracen-9-yl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;3-bromo-6-chloro-9,9-difluorofluorene;9-(6-chloro-9,9-difluorofluoren-3-yl)anthracene;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine?

The canonical SMILES for anthracen-9-ylboronic acid;2-(6-anthracen-9-yl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;3-bromo-6-chloro-9,9-difluorofluorene;9-(6-chloro-9,9-difluorofluoren-3-yl)anthracene;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.FC1(F)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3c4ccccc4cc4ccccc34)ccc21.FC1(F)c2ccc(Cl)cc2-c2cc(-c3c4ccccc4cc4ccccc34)ccc21.FC1(F)c2ccc(Cl)cc2-c2cc(Br)ccc21.OB(O)c1c2ccccc2cc2ccccc12.

What is the InChIKey of anthracen-9-ylboronic acid;2-(6-anthracen-9-yl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;3-bromo-6-chloro-9,9-difluorofluorene;9-(6-chloro-9,9-difluorofluoren-3-yl)anthracene;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine?

The InChIKey is MIRXJABQYPCVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25F2N3.C27H15ClF2.C21H22BN3O2.C14H11BO2.C13H6BrClF2/c43-42(44)36-21-19-30(38-32-17-9-7-15-28(32)23-29-16-8-10-18-33(29)38)24-34(36)35-25-31(20-22-37(35)42)41-46-39(26-11-3-1-4-12-26)45-40(47-41)27-13-5-2-6-14-27;28-19-10-12-25-23(15-19)22-14-18(9-11-24(22)27(25,29)30)26-20-7-3-1-5-16(20)13-17-6-2-4-8-21(17)26;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;16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;14-7-1-3-11-9(5-7)10-6-8(15)2-4-12(10)13(11,16)17/h1-25H;1-15H;5-14H,1-4H3;1-9,16-17H;1-6H.

What are the key properties of anthracen-9-ylboronic acid;2-(6-anthracen-9-yl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;3-bromo-6-chloro-9,9-difluorofluorene;9-(6-chloro-9,9-difluorofluoren-3-yl)anthracene;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine?

anthracen-9-ylboronic acid;2-(6-anthracen-9-yl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;3-bromo-6-chloro-9,9-difluorofluorene;9-(6-chloro-9,9-difluorofluoren-3-yl)anthracene;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine has a molecular weight of 1919.38 g/mol, XLogP of 29.80, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for anthracen-9-ylboronic acid;2-(6-anthracen-9-yl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;3-bromo-6-chloro-9,9-difluorofluorene;9-(6-chloro-9,9-difluorofluoren-3-yl)anthracene;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine is sourced from PubChem (CID 159578430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).