2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;tris(1,1,1-trifluoroethane)

C108H88F9N11O — CID 161429827

About 2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;tris(1,1,1-trifluoroethane)

2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;tris(1,1,1-trifluoroethane) (PubChem CID 161429827) has the molecular formula C108H88F9N11O and a molecular weight of 1726.95 g/mol. Its IUPAC name is 2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;tris(1,1,1-trifluoroethane).

Molecular Properties

• Compound Name: 2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;tris(1,1,1-trifluoroethane)
• PubChem CID: 161429827
• Molecular Formula: C108H88F9N11O
• Molecular Weight: 1726.95 g/mol
• Exact Mass: 1725.70
• IUPAC Name: 2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;tris(1,1,1-trifluoroethane)
• SMILES: CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.CC(F)(F)F.CC(F)(F)F.CC(F)(F)F.c1ccc(-c2nc3ccccc3nc2-c2cc(-c3nc4ccccc4nc3-c3ccccc3)cc(-c3nc4ccccc4nc3-c3ccccc3)c2)cc1
• InChI: InChI=1S/C48H30N6.C30H27N3.C24H22N2O.3C2H3F3/c1-4-16-31(17-5-1)43-46(52-40-25-13-10-22-37(40)49-43)34-28-35(47-44(32-18-6-2-7-19-32)50-38-23-11-14-26-41(38)53-47)30-36(29-34)48-45(33-20-8-3-9-21-33)51-39-24-12-15-27-42(39)54-48;1-30(2,3)26-20-18-25(19-21-26)29-32-31-28(33(29)27-12-8-5-9-13-27)24-16-14-23(15-17-24)22-10-6-4-7-11-22;1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17;3*1-2(3,4)5/h1-30H;4-21H,1-3H3;4-16H,1-3H3;3*1H3
• InChIKey: VXWAIMWJBDPIOE-UHFFFAOYSA-N
• XLogP: 30.16
• TPSA: 146.97 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1726.95
LogP ≤ 5	30.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;tris(1,1,1-trifluoroethane)?

The IUPAC name of 2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;tris(1,1,1-trifluoroethane) (CID 161429827) is 2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;tris(1,1,1-trifluoroethane).

What is the SMILES notation for 2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;tris(1,1,1-trifluoroethane)?

The canonical SMILES for 2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;tris(1,1,1-trifluoroethane) is CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.CC(F)(F)F.CC(F)(F)F.CC(F)(F)F.c1ccc(-c2nc3ccccc3nc2-c2cc(-c3nc4ccccc4nc3-c3ccccc3)cc(-c3nc4ccccc4nc3-c3ccccc3)c2)cc1.

What is the InChIKey of 2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;tris(1,1,1-trifluoroethane)?

The InChIKey is VXWAIMWJBDPIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N6.C30H27N3.C24H22N2O.3C2H3F3/c1-4-16-31(17-5-1)43-46(52-40-25-13-10-22-37(40)49-43)34-28-35(47-44(32-18-6-2-7-19-32)50-38-23-11-14-26-41(38)53-47)30-36(29-34)48-45(33-20-8-3-9-21-33)51-39-24-12-15-27-42(39)54-48;1-30(2,3)26-20-18-25(19-21-26)29-32-31-28(33(29)27-12-8-5-9-13-27)24-16-14-23(15-17-24)22-10-6-4-7-11-22;1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17;3*1-2(3,4)5/h1-30H;4-21H,1-3H3;4-16H,1-3H3;3*1H3.

What are the key properties of 2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;tris(1,1,1-trifluoroethane)?

2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;tris(1,1,1-trifluoroethane) has a molecular weight of 1726.95 g/mol, XLogP of 30.16, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;tris(1,1,1-trifluoroethane) is sourced from PubChem (CID 161429827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).