2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole;methane;N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline

C91H73BrN8O2 — CID 159497100

About 2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole;methane;N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline

2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole;methane;N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline (PubChem CID 159497100) has the molecular formula C91H73BrN8O2 and a molecular weight of 1390.54 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole;methane;N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline.

Molecular Properties

• Compound Name: 2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole;methane;N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline
• PubChem CID: 159497100
• Molecular Formula: C91H73BrN8O2
• Molecular Weight: 1390.54 g/mol
• Exact Mass: 1388.50
• IUPAC Name: 2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole;methane;N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline
• SMILES: Brc1ccc(-c2nnc(-c3ccccc3)o2)cc1.C.C.C.c1ccc(-c2nnc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)o2)cc1.c1ccc(Nc2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
• InChI: InChI=1S/C44H30N4O.C30H22N2.C14H9BrN2O.3CH4/c1-4-12-32(13-5-1)43-45-46-44(49-43)33-22-27-38(28-23-33)47(35-14-6-2-7-15-35)37-25-20-31(21-26-37)34-24-29-42-40(30-34)39-18-10-11-19-41(39)48(42)36-16-8-3-9-17-36;1-3-9-24(10-4-1)31-25-18-15-22(16-19-25)23-17-20-30-28(21-23)27-13-7-8-14-29(27)32(30)26-11-5-2-6-12-26;15-12-8-6-11(7-9-12)14-17-16-13(18-14)10-4-2-1-3-5-10;;;/h1-30H;1-21,31H;1-9H;3*1H4
• InChIKey: LYXOEAXOBGQZPE-UHFFFAOYSA-N
• XLogP: 25.91
• TPSA: 102.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1390.54
LogP ≤ 5	25.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole;methane;N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline?

The IUPAC name of 2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole;methane;N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline (CID 159497100) is 2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole;methane;N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline.

What is the SMILES notation for 2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole;methane;N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline?

The canonical SMILES for 2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole;methane;N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline is Brc1ccc(-c2nnc(-c3ccccc3)o2)cc1.C.C.C.c1ccc(-c2nnc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)o2)cc1.c1ccc(Nc2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.

What is the InChIKey of 2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole;methane;N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline?

The InChIKey is LYXOEAXOBGQZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N4O.C30H22N2.C14H9BrN2O.3CH4/c1-4-12-32(13-5-1)43-45-46-44(49-43)33-22-27-38(28-23-33)47(35-14-6-2-7-15-35)37-25-20-31(21-26-37)34-24-29-42-40(30-34)39-18-10-11-19-41(39)48(42)36-16-8-3-9-17-36;1-3-9-24(10-4-1)31-25-18-15-22(16-19-25)23-17-20-30-28(21-23)27-13-7-8-14-29(27)32(30)26-11-5-2-6-12-26;15-12-8-6-11(7-9-12)14-17-16-13(18-14)10-4-2-1-3-5-10;;;/h1-30H;1-21,31H;1-9H;3*1H4.

What are the key properties of 2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole;methane;N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline?

2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole;methane;N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline has a molecular weight of 1390.54 g/mol, XLogP of 25.91, 13 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole;methane;N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline is sourced from PubChem (CID 159497100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).