1-bromo-4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene;N-[4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-N-phenylanthracen-9-amine;naphthalen-1-ylboronic acid;N-phenylanthracen-9-amine;N-phenyl-N-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-naphthalen-1-ylphenyl)phenyl]anthracen-9-amine

C116H59BBr3F24N3O2 — CID 159572997

About 1-bromo-4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene;N-[4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-N-phenylanthracen-9-amine;naphthalen-1-ylboronic acid;N-phenylanthracen-9-amine;N-phenyl-N-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-naphthalen-1-ylphenyl)phenyl]anthracen-9-amine

1-bromo-4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene;N-[4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-N-phenylanthracen-9-amine;naphthalen-1-ylboronic acid;N-phenylanthracen-9-amine;N-phenyl-N-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-naphthalen-1-ylphenyl)phenyl]anthracen-9-amine (PubChem CID 159572997) has the molecular formula C116H59BBr3F24N3O2 and a molecular weight of 2233.24 g/mol. Its IUPAC name is 1-bromo-4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene;N-[4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-N-phenylanthracen-9-amine;naphthalen-1-ylboronic acid;N-phenylanthracen-9-amine;N-phenyl-N-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-naphthalen-1-ylphenyl)phenyl]anthracen-9-amine.

Molecular Properties

• Compound Name: 1-bromo-4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene;N-[4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-N-phenylanthracen-9-amine;naphthalen-1-ylboronic acid;N-phenylanthracen-9-amine;N-phenyl-N-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-naphthalen-1-ylphenyl)phenyl]anthracen-9-amine
• PubChem CID: 159572997
• Molecular Formula: C116H59BBr3F24N3O2
• Molecular Weight: 2233.24 g/mol
• Exact Mass: 2229.19
• IUPAC Name: 1-bromo-4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene;N-[4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-N-phenylanthracen-9-amine;naphthalen-1-ylboronic acid;N-phenylanthracen-9-amine;N-phenyl-N-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-naphthalen-1-ylphenyl)phenyl]anthracen-9-amine
• SMILES: Fc1c(F)c(-c2c(F)c(F)c(Br)c(F)c2F)c(F)c(F)c1Br.Fc1c(F)c(-c2c(F)c(F)c(N(c3ccccc3)c3c4ccccc4cc4ccccc34)c(F)c2F)c(F)c(F)c1Br.Fc1c(F)c(-c2cccc3ccccc23)c(F)c(F)c1-c1c(F)c(F)c(N(c2ccccc2)c2c3ccccc3cc3ccccc23)c(F)c1F.OB(O)c1cccc2ccccc12.c1ccc(Nc2c3ccccc3cc3ccccc23)cc1
• InChI: InChI=1S/C42H21F8N.C32H14BrF8N.C20H15N.C12Br2F8.C10H9BO2/c43-33-30(29-20-10-14-22-11-4-7-17-26(22)29)34(44)36(46)31(35(33)45)32-37(47)39(49)42(40(50)38(32)48)51(25-15-2-1-3-16-25)41-27-18-8-5-12-23(27)21-24-13-6-9-19-28(24)41;33-22-27(38)23(34)20(24(35)28(22)39)21-25(36)29(40)32(30(41)26(21)37)42(17-10-2-1-3-11-17)31-18-12-6-4-8-15(18)14-16-9-5-7-13-19(16)31;1-2-10-17(11-3-1)21-20-18-12-6-4-8-15(18)14-16-9-5-7-13-19(16)20;13-3-9(19)5(15)1(6(16)10(3)20)2-7(17)11(21)4(14)12(22)8(2)18;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-21H;1-14H;1-14,21H;;1-7,12-13H
• InChIKey: MIBCBDGZWAFING-UHFFFAOYSA-N
• XLogP: 36.32
• TPSA: 58.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2233.24
LogP ≤ 5	36.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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 1-bromo-4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene;N-[4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-N-phenylanthracen-9-amine;naphthalen-1-ylboronic acid;N-phenylanthracen-9-amine;N-phenyl-N-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-naphthalen-1-ylphenyl)phenyl]anthracen-9-amine?

The IUPAC name of 1-bromo-4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene;N-[4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-N-phenylanthracen-9-amine;naphthalen-1-ylboronic acid;N-phenylanthracen-9-amine;N-phenyl-N-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-naphthalen-1-ylphenyl)phenyl]anthracen-9-amine (CID 159572997) is 1-bromo-4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene;N-[4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-N-phenylanthracen-9-amine;naphthalen-1-ylboronic acid;N-phenylanthracen-9-amine;N-phenyl-N-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-naphthalen-1-ylphenyl)phenyl]anthracen-9-amine.

What is the SMILES notation for 1-bromo-4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene;N-[4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-N-phenylanthracen-9-amine;naphthalen-1-ylboronic acid;N-phenylanthracen-9-amine;N-phenyl-N-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-naphthalen-1-ylphenyl)phenyl]anthracen-9-amine?

The canonical SMILES for 1-bromo-4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene;N-[4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-N-phenylanthracen-9-amine;naphthalen-1-ylboronic acid;N-phenylanthracen-9-amine;N-phenyl-N-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-naphthalen-1-ylphenyl)phenyl]anthracen-9-amine is Fc1c(F)c(-c2c(F)c(F)c(Br)c(F)c2F)c(F)c(F)c1Br.Fc1c(F)c(-c2c(F)c(F)c(N(c3ccccc3)c3c4ccccc4cc4ccccc34)c(F)c2F)c(F)c(F)c1Br.Fc1c(F)c(-c2cccc3ccccc23)c(F)c(F)c1-c1c(F)c(F)c(N(c2ccccc2)c2c3ccccc3cc3ccccc23)c(F)c1F.OB(O)c1cccc2ccccc12.c1ccc(Nc2c3ccccc3cc3ccccc23)cc1.

What is the InChIKey of 1-bromo-4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene;N-[4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-N-phenylanthracen-9-amine;naphthalen-1-ylboronic acid;N-phenylanthracen-9-amine;N-phenyl-N-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-naphthalen-1-ylphenyl)phenyl]anthracen-9-amine?

The InChIKey is MIBCBDGZWAFING-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H21F8N.C32H14BrF8N.C20H15N.C12Br2F8.C10H9BO2/c43-33-30(29-20-10-14-22-11-4-7-17-26(22)29)34(44)36(46)31(35(33)45)32-37(47)39(49)42(40(50)38(32)48)51(25-15-2-1-3-16-25)41-27-18-8-5-12-23(27)21-24-13-6-9-19-28(24)41;33-22-27(38)23(34)20(24(35)28(22)39)21-25(36)29(40)32(30(41)26(21)37)42(17-10-2-1-3-11-17)31-18-12-6-4-8-15(18)14-16-9-5-7-13-19(16)31;1-2-10-17(11-3-1)21-20-18-12-6-4-8-15(18)14-16-9-5-7-13-19(16)20;13-3-9(19)5(15)1(6(16)10(3)20)2-7(17)11(21)4(14)12(22)8(2)18;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-21H;1-14H;1-14,21H;;1-7,12-13H.

What are the key properties of 1-bromo-4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene;N-[4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-N-phenylanthracen-9-amine;naphthalen-1-ylboronic acid;N-phenylanthracen-9-amine;N-phenyl-N-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-naphthalen-1-ylphenyl)phenyl]anthracen-9-amine?

1-bromo-4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene;N-[4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-N-phenylanthracen-9-amine;naphthalen-1-ylboronic acid;N-phenylanthracen-9-amine;N-phenyl-N-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-naphthalen-1-ylphenyl)phenyl]anthracen-9-amine has a molecular weight of 2233.24 g/mol, XLogP of 36.32, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene;N-[4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-N-phenylanthracen-9-amine;naphthalen-1-ylboronic acid;N-phenylanthracen-9-amine;N-phenyl-N-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-naphthalen-1-ylphenyl)phenyl]anthracen-9-amine is sourced from PubChem (CID 159572997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).