6-[4-[4-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]phenyl]phenyl]-2,3-bis(4-fluorophenyl)quinoxaline;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine

C135H86F10N12O2 — CID 160584855

About 6-[4-[4-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]phenyl]phenyl]-2,3-bis(4-fluorophenyl)quinoxaline;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine

6-[4-[4-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]phenyl]phenyl]-2,3-bis(4-fluorophenyl)quinoxaline;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 160584855) has the molecular formula C135H86F10N12O2 and a molecular weight of 2098.23 g/mol. Its IUPAC name is 6-[4-[4-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]phenyl]phenyl]-2,3-bis(4-fluorophenyl)quinoxaline;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 6-[4-[4-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]phenyl]phenyl]-2,3-bis(4-fluorophenyl)quinoxaline;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 160584855
• Molecular Formula: C135H86F10N12O2
• Molecular Weight: 2098.23 g/mol
• Exact Mass: 2096.68
• IUPAC Name: 6-[4-[4-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]phenyl]phenyl]-2,3-bis(4-fluorophenyl)quinoxaline;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine
• SMILES: Cc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(C)nc3c2n1.FC(F)(F)C(c1ccc(Oc2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1)(c1ccc(Oc2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1)C(F)(F)F.Fc1ccc(-c2nc3ccc(-c4ccc(-c5ccc(-c6ccc7nc(-c8ccc(F)cc8)c(-c8ccc(F)cc8)nc7c6)cc5)cc4)cc3nc2-c2ccc(F)cc2)cc1
• InChI: InChI=1S/C57H36F6N6O2.C52H30F4N4.C26H20N2/c58-56(59,60)55(57(61,62)63,43-25-33-47(34-26-43)70-45-29-21-41(22-30-45)53-66-49(37-13-5-1-6-14-37)64-50(67-53)38-15-7-2-8-16-38)44-27-35-48(36-28-44)71-46-31-23-42(24-32-46)54-68-51(39-17-9-3-10-18-39)65-52(69-54)40-19-11-4-12-20-40;53-41-19-9-35(10-20-41)49-51(37-13-23-43(55)24-14-37)59-47-29-39(17-27-45(47)57-49)33-5-1-31(2-6-33)32-3-7-34(8-4-32)40-18-28-46-48(30-40)60-52(38-15-25-44(56)26-16-38)50(58-46)36-11-21-42(54)22-12-36;1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17/h1-36H;1-30H;3-16H,1-2H3
• InChIKey: RCGMHRSYXVVDSW-UHFFFAOYSA-N
• XLogP: 35.59
• TPSA: 173.14 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 21
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2098.23
LogP ≤ 5	35.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]phenyl]phenyl]-2,3-bis(4-fluorophenyl)quinoxaline;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 6-[4-[4-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]phenyl]phenyl]-2,3-bis(4-fluorophenyl)quinoxaline;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 160584855) is 6-[4-[4-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]phenyl]phenyl]-2,3-bis(4-fluorophenyl)quinoxaline;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 6-[4-[4-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]phenyl]phenyl]-2,3-bis(4-fluorophenyl)quinoxaline;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 6-[4-[4-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]phenyl]phenyl]-2,3-bis(4-fluorophenyl)quinoxaline;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine is Cc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(C)nc3c2n1.FC(F)(F)C(c1ccc(Oc2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1)(c1ccc(Oc2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1)C(F)(F)F.Fc1ccc(-c2nc3ccc(-c4ccc(-c5ccc(-c6ccc7nc(-c8ccc(F)cc8)c(-c8ccc(F)cc8)nc7c6)cc5)cc4)cc3nc2-c2ccc(F)cc2)cc1.

What is the InChIKey of 6-[4-[4-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]phenyl]phenyl]-2,3-bis(4-fluorophenyl)quinoxaline;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine?

The InChIKey is RCGMHRSYXVVDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36F6N6O2.C52H30F4N4.C26H20N2/c58-56(59,60)55(57(61,62)63,43-25-33-47(34-26-43)70-45-29-21-41(22-30-45)53-66-49(37-13-5-1-6-14-37)64-50(67-53)38-15-7-2-8-16-38)44-27-35-48(36-28-44)71-46-31-23-42(24-32-46)54-68-51(39-17-9-3-10-18-39)65-52(69-54)40-19-11-4-12-20-40;53-41-19-9-35(10-20-41)49-51(37-13-23-43(55)24-14-37)59-47-29-39(17-27-45(47)57-49)33-5-1-31(2-6-33)32-3-7-34(8-4-32)40-18-28-46-48(30-40)60-52(38-15-25-44(56)26-16-38)50(58-46)36-11-21-42(54)22-12-36;1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17/h1-36H;1-30H;3-16H,1-2H3.

What are the key properties of 6-[4-[4-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]phenyl]phenyl]-2,3-bis(4-fluorophenyl)quinoxaline;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine?

6-[4-[4-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]phenyl]phenyl]-2,3-bis(4-fluorophenyl)quinoxaline;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 2098.23 g/mol, XLogP of 35.59, 21 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[4-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]phenyl]phenyl]-2,3-bis(4-fluorophenyl)quinoxaline;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 160584855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).