2,3-bis(4-bromonaphthalen-1-yl)-6-pyridin-2-ylpyridine;2,3-bis(5-bromonaphthalen-1-yl)-6-pyridin-2-ylpyridine;2,3-bis(2-bromophenyl)-6-pyridin-2-ylpyridine;2,3-bis(3-bromophenyl)-6-pyridin-2-ylpyridine;[4-[6-pyrimidin-4-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate

C127H77Br8F6N11O6S2 — CID 160713768

About 2,3-bis(4-bromonaphthalen-1-yl)-6-pyridin-2-ylpyridine;2,3-bis(5-bromonaphthalen-1-yl)-6-pyridin-2-ylpyridine;2,3-bis(2-bromophenyl)-6-pyridin-2-ylpyridine;2,3-bis(3-bromophenyl)-6-pyridin-2-ylpyridine;[4-[6-pyrimidin-4-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate

2,3-bis(4-bromonaphthalen-1-yl)-6-pyridin-2-ylpyridine;2,3-bis(5-bromonaphthalen-1-yl)-6-pyridin-2-ylpyridine;2,3-bis(2-bromophenyl)-6-pyridin-2-ylpyridine;2,3-bis(3-bromophenyl)-6-pyridin-2-ylpyridine;[4-[6-pyrimidin-4-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate (PubChem CID 160713768) has the molecular formula C127H77Br8F6N11O6S2 and a molecular weight of 2670.44 g/mol. Its IUPAC name is 2,3-bis(4-bromonaphthalen-1-yl)-6-pyridin-2-ylpyridine;2,3-bis(5-bromonaphthalen-1-yl)-6-pyridin-2-ylpyridine;2,3-bis(2-bromophenyl)-6-pyridin-2-ylpyridine;2,3-bis(3-bromophenyl)-6-pyridin-2-ylpyridine;[4-[6-pyrimidin-4-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate.

Molecular Properties

• Compound Name: 2,3-bis(4-bromonaphthalen-1-yl)-6-pyridin-2-ylpyridine;2,3-bis(5-bromonaphthalen-1-yl)-6-pyridin-2-ylpyridine;2,3-bis(2-bromophenyl)-6-pyridin-2-ylpyridine;2,3-bis(3-bromophenyl)-6-pyridin-2-ylpyridine;[4-[6-pyrimidin-4-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate
• PubChem CID: 160713768
• Molecular Formula: C127H77Br8F6N11O6S2
• Molecular Weight: 2670.44 g/mol
• Exact Mass: 2660.89
• IUPAC Name: 2,3-bis(4-bromonaphthalen-1-yl)-6-pyridin-2-ylpyridine;2,3-bis(5-bromonaphthalen-1-yl)-6-pyridin-2-ylpyridine;2,3-bis(2-bromophenyl)-6-pyridin-2-ylpyridine;2,3-bis(3-bromophenyl)-6-pyridin-2-ylpyridine;[4-[6-pyrimidin-4-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate
• SMILES: Brc1ccc(-c2ccc(-c3ccccn3)nc2-c2ccc(Br)c3ccccc23)c2ccccc12.Brc1cccc(-c2ccc(-c3ccccn3)nc2-c2cccc(Br)c2)c1.Brc1cccc2c(-c3ccc(-c4ccccn4)nc3-c3cccc4c(Br)cccc34)cccc12.Brc1ccccc1-c1ccc(-c2ccccn2)nc1-c1ccccc1Br.O=S(=O)(Oc1ccc(-c2ccc(-c3ccncn3)nc2-c2ccc(OS(=O)(=O)C(F)(F)F)cc2)cc1)C(F)(F)F
• InChI: InChI=1S/2C30H18Br2N2.C23H13F6N3O6S2.2C22H14Br2N2/c31-26-15-12-21(19-7-1-3-9-22(19)26)25-14-17-29(28-11-5-6-18-33-28)34-30(25)24-13-16-27(32)23-10-4-2-8-20(23)24;31-26-13-5-8-19-20(7-3-10-22(19)26)25-16-17-29(28-15-1-2-18-33-28)34-30(25)24-12-4-11-23-21(24)9-6-14-27(23)32;24-22(25,26)39(33,34)37-16-5-1-14(2-6-16)18-9-10-20(19-11-12-30-13-31-19)32-21(18)15-3-7-17(8-4-15)38-40(35,36)23(27,28)29;23-18-9-3-1-7-15(18)16-12-13-21(20-11-5-6-14-25-20)26-22(16)17-8-2-4-10-19(17)24;23-17-7-3-5-15(13-17)19-10-11-21(20-9-1-2-12-25-20)26-22(19)16-6-4-8-18(24)14-16/h2*1-18H;1-13H;2*1-14H
• InChIKey: RSESYLMDHNHCSL-UHFFFAOYSA-N
• XLogP: 37.95
• TPSA: 228.53 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 19
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2670.44
LogP ≤ 5	37.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-bromonaphthalen-1-yl)-6-pyridin-2-ylpyridine;2,3-bis(5-bromonaphthalen-1-yl)-6-pyridin-2-ylpyridine;2,3-bis(2-bromophenyl)-6-pyridin-2-ylpyridine;2,3-bis(3-bromophenyl)-6-pyridin-2-ylpyridine;[4-[6-pyrimidin-4-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate?

The IUPAC name of 2,3-bis(4-bromonaphthalen-1-yl)-6-pyridin-2-ylpyridine;2,3-bis(5-bromonaphthalen-1-yl)-6-pyridin-2-ylpyridine;2,3-bis(2-bromophenyl)-6-pyridin-2-ylpyridine;2,3-bis(3-bromophenyl)-6-pyridin-2-ylpyridine;[4-[6-pyrimidin-4-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate (CID 160713768) is 2,3-bis(4-bromonaphthalen-1-yl)-6-pyridin-2-ylpyridine;2,3-bis(5-bromonaphthalen-1-yl)-6-pyridin-2-ylpyridine;2,3-bis(2-bromophenyl)-6-pyridin-2-ylpyridine;2,3-bis(3-bromophenyl)-6-pyridin-2-ylpyridine;[4-[6-pyrimidin-4-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate.

What is the SMILES notation for 2,3-bis(4-bromonaphthalen-1-yl)-6-pyridin-2-ylpyridine;2,3-bis(5-bromonaphthalen-1-yl)-6-pyridin-2-ylpyridine;2,3-bis(2-bromophenyl)-6-pyridin-2-ylpyridine;2,3-bis(3-bromophenyl)-6-pyridin-2-ylpyridine;[4-[6-pyrimidin-4-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate?

The canonical SMILES for 2,3-bis(4-bromonaphthalen-1-yl)-6-pyridin-2-ylpyridine;2,3-bis(5-bromonaphthalen-1-yl)-6-pyridin-2-ylpyridine;2,3-bis(2-bromophenyl)-6-pyridin-2-ylpyridine;2,3-bis(3-bromophenyl)-6-pyridin-2-ylpyridine;[4-[6-pyrimidin-4-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate is Brc1ccc(-c2ccc(-c3ccccn3)nc2-c2ccc(Br)c3ccccc23)c2ccccc12.Brc1cccc(-c2ccc(-c3ccccn3)nc2-c2cccc(Br)c2)c1.Brc1cccc2c(-c3ccc(-c4ccccn4)nc3-c3cccc4c(Br)cccc34)cccc12.Brc1ccccc1-c1ccc(-c2ccccn2)nc1-c1ccccc1Br.O=S(=O)(Oc1ccc(-c2ccc(-c3ccncn3)nc2-c2ccc(OS(=O)(=O)C(F)(F)F)cc2)cc1)C(F)(F)F.

What is the InChIKey of 2,3-bis(4-bromonaphthalen-1-yl)-6-pyridin-2-ylpyridine;2,3-bis(5-bromonaphthalen-1-yl)-6-pyridin-2-ylpyridine;2,3-bis(2-bromophenyl)-6-pyridin-2-ylpyridine;2,3-bis(3-bromophenyl)-6-pyridin-2-ylpyridine;[4-[6-pyrimidin-4-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate?

The InChIKey is RSESYLMDHNHCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H18Br2N2.C23H13F6N3O6S2.2C22H14Br2N2/c31-26-15-12-21(19-7-1-3-9-22(19)26)25-14-17-29(28-11-5-6-18-33-28)34-30(25)24-13-16-27(32)23-10-4-2-8-20(23)24;31-26-13-5-8-19-20(7-3-10-22(19)26)25-16-17-29(28-15-1-2-18-33-28)34-30(25)24-12-4-11-23-21(24)9-6-14-27(23)32;24-22(25,26)39(33,34)37-16-5-1-14(2-6-16)18-9-10-20(19-11-12-30-13-31-19)32-21(18)15-3-7-17(8-4-15)38-40(35,36)23(27,28)29;23-18-9-3-1-7-15(18)16-12-13-21(20-11-5-6-14-25-20)26-22(16)17-8-2-4-10-19(17)24;23-17-7-3-5-15(13-17)19-10-11-21(20-9-1-2-12-25-20)26-22(19)16-6-4-8-18(24)14-16/h2*1-18H;1-13H;2*1-14H.

What are the key properties of 2,3-bis(4-bromonaphthalen-1-yl)-6-pyridin-2-ylpyridine;2,3-bis(5-bromonaphthalen-1-yl)-6-pyridin-2-ylpyridine;2,3-bis(2-bromophenyl)-6-pyridin-2-ylpyridine;2,3-bis(3-bromophenyl)-6-pyridin-2-ylpyridine;[4-[6-pyrimidin-4-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate?

2,3-bis(4-bromonaphthalen-1-yl)-6-pyridin-2-ylpyridine;2,3-bis(5-bromonaphthalen-1-yl)-6-pyridin-2-ylpyridine;2,3-bis(2-bromophenyl)-6-pyridin-2-ylpyridine;2,3-bis(3-bromophenyl)-6-pyridin-2-ylpyridine;[4-[6-pyrimidin-4-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate has a molecular weight of 2670.44 g/mol, XLogP of 37.95, 19 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-bis(4-bromonaphthalen-1-yl)-6-pyridin-2-ylpyridine;2,3-bis(5-bromonaphthalen-1-yl)-6-pyridin-2-ylpyridine;2,3-bis(2-bromophenyl)-6-pyridin-2-ylpyridine;2,3-bis(3-bromophenyl)-6-pyridin-2-ylpyridine;[4-[6-pyrimidin-4-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate is sourced from PubChem (CID 160713768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).