2-bromo-1,4-difluorobenzene;3-tert-butyl-6-propan-2-yl-9H-fluorene;3,6-ditert-butyl-9-[4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;2-[4-(2,5-difluorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;methane

C148H139BBrF4N11O2 — CID 160540850

About 2-bromo-1,4-difluorobenzene;3-tert-butyl-6-propan-2-yl-9H-fluorene;3,6-ditert-butyl-9-[4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;2-[4-(2,5-difluorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;methane

2-bromo-1,4-difluorobenzene;3-tert-butyl-6-propan-2-yl-9H-fluorene;3,6-ditert-butyl-9-[4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;2-[4-(2,5-difluorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;methane (PubChem CID 160540850) has the molecular formula C148H139BBrF4N11O2 and a molecular weight of 2270.52 g/mol. Its IUPAC name is 2-bromo-1,4-difluorobenzene;3-tert-butyl-6-propan-2-yl-9H-fluorene;3,6-ditert-butyl-9-[4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;2-[4-(2,5-difluorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;methane.

Molecular Properties

• Compound Name: 2-bromo-1,4-difluorobenzene;3-tert-butyl-6-propan-2-yl-9H-fluorene;3,6-ditert-butyl-9-[4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;2-[4-(2,5-difluorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;methane
• PubChem CID: 160540850
• Molecular Formula: C148H139BBrF4N11O2
• Molecular Weight: 2270.52 g/mol
• Exact Mass: 2268.03
• IUPAC Name: 2-bromo-1,4-difluorobenzene;3-tert-butyl-6-propan-2-yl-9H-fluorene;3,6-ditert-butyl-9-[4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;2-[4-(2,5-difluorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;methane
• SMILES: C.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1.CC(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C2.CC1(C)OB(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)OC1(C)C.Fc1ccc(F)c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1.Fc1ccc(F)c(Br)c1
• InChI: InChI=1S/C67H65N5.C27H26BN3O2.C27H17F2N3.C20H24.C6H3BrF2.CH4/c1-64(2,3)46-27-32-57-52(37-46)53-38-47(65(4,5)6)28-33-58(53)71(57)50-31-36-56(72-59-34-29-48(66(7,8)9)39-54(59)55-40-49(67(10,11)12)30-35-60(55)72)51(41-50)42-23-25-45(26-24-42)63-69-61(43-19-15-13-16-20-43)68-62(70-63)44-21-17-14-18-22-44;1-26(2)27(3,4)33-28(32-26)22-17-15-21(16-18-22)25-30-23(19-11-7-5-8-12-19)29-24(31-25)20-13-9-6-10-14-20;28-22-15-16-24(29)23(17-22)18-11-13-21(14-12-18)27-31-25(19-7-3-1-4-8-19)30-26(32-27)20-9-5-2-6-10-20;1-13(2)14-6-7-15-10-16-8-9-17(20(3,4)5)12-19(16)18(15)11-14;7-5-3-4(8)1-2-6(5)9;/h13-41H,1-12H3;5-18H,1-4H3;1-17H;6-9,11-13H,10H2,1-5H3;1-3H;1H4
• InChIKey: QWTLNBZUDVQFTN-UHFFFAOYSA-N
• XLogP: 38.96
• TPSA: 144.33 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2270.52
LogP ≤ 5	38.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,4-difluorobenzene;3-tert-butyl-6-propan-2-yl-9H-fluorene;3,6-ditert-butyl-9-[4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;2-[4-(2,5-difluorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;methane?

The IUPAC name of 2-bromo-1,4-difluorobenzene;3-tert-butyl-6-propan-2-yl-9H-fluorene;3,6-ditert-butyl-9-[4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;2-[4-(2,5-difluorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;methane (CID 160540850) is 2-bromo-1,4-difluorobenzene;3-tert-butyl-6-propan-2-yl-9H-fluorene;3,6-ditert-butyl-9-[4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;2-[4-(2,5-difluorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;methane.

What is the SMILES notation for 2-bromo-1,4-difluorobenzene;3-tert-butyl-6-propan-2-yl-9H-fluorene;3,6-ditert-butyl-9-[4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;2-[4-(2,5-difluorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;methane?

The canonical SMILES for 2-bromo-1,4-difluorobenzene;3-tert-butyl-6-propan-2-yl-9H-fluorene;3,6-ditert-butyl-9-[4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;2-[4-(2,5-difluorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;methane is C.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1.CC(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C2.CC1(C)OB(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)OC1(C)C.Fc1ccc(F)c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1.Fc1ccc(F)c(Br)c1.

What is the InChIKey of 2-bromo-1,4-difluorobenzene;3-tert-butyl-6-propan-2-yl-9H-fluorene;3,6-ditert-butyl-9-[4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;2-[4-(2,5-difluorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;methane?

The InChIKey is QWTLNBZUDVQFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H65N5.C27H26BN3O2.C27H17F2N3.C20H24.C6H3BrF2.CH4/c1-64(2,3)46-27-32-57-52(37-46)53-38-47(65(4,5)6)28-33-58(53)71(57)50-31-36-56(72-59-34-29-48(66(7,8)9)39-54(59)55-40-49(67(10,11)12)30-35-60(55)72)51(41-50)42-23-25-45(26-24-42)63-69-61(43-19-15-13-16-20-43)68-62(70-63)44-21-17-14-18-22-44;1-26(2)27(3,4)33-28(32-26)22-17-15-21(16-18-22)25-30-23(19-11-7-5-8-12-19)29-24(31-25)20-13-9-6-10-14-20;28-22-15-16-24(29)23(17-22)18-11-13-21(14-12-18)27-31-25(19-7-3-1-4-8-19)30-26(32-27)20-9-5-2-6-10-20;1-13(2)14-6-7-15-10-16-8-9-17(20(3,4)5)12-19(16)18(15)11-14;7-5-3-4(8)1-2-6(5)9;/h13-41H,1-12H3;5-18H,1-4H3;1-17H;6-9,11-13H,10H2,1-5H3;1-3H;1H4.

What are the key properties of 2-bromo-1,4-difluorobenzene;3-tert-butyl-6-propan-2-yl-9H-fluorene;3,6-ditert-butyl-9-[4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;2-[4-(2,5-difluorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;methane?

2-bromo-1,4-difluorobenzene;3-tert-butyl-6-propan-2-yl-9H-fluorene;3,6-ditert-butyl-9-[4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;2-[4-(2,5-difluorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;methane has a molecular weight of 2270.52 g/mol, XLogP of 38.96, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-1,4-difluorobenzene;3-tert-butyl-6-propan-2-yl-9H-fluorene;3,6-ditert-butyl-9-[4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;2-[4-(2,5-difluorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;methane is sourced from PubChem (CID 160540850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).