2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole;3-(9H-carbazol-3-yl)-9-phenylcarbazole;methane;2-phenyl-5-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,4-oxadiazole

C₉₁H₆₉BrN₈O₂ — CID 159212514

About 2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole;3-(9H-carbazol-3-yl)-9-phenylcarbazole;methane;2-phenyl-5-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,4-oxadiazole

2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole;3-(9H-carbazol-3-yl)-9-phenylcarbazole;methane;2-phenyl-5-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,4-oxadiazole (PubChem CID 159212514) has the molecular formula C₉₁H₆₉BrN₈O₂ and a molecular weight of 1386.51 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole;3-(9H-carbazol-3-yl)-9-phenylcarbazole;methane;2-phenyl-5-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole;3-(9H-carbazol-3-yl)-9-phenylcarbazole;methane;2-phenyl-5-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,4-oxadiazole
• PubChem CID: 159212514
• Molecular Formula: C₉₁H₆₉BrN₈O₂
• Molecular Weight: 1386.51 g/mol
• Exact Mass: 1384.47
• IUPAC Name: 2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole;3-(9H-carbazol-3-yl)-9-phenylcarbazole;methane;2-phenyl-5-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,4-oxadiazole
• SMILES: Brc1ccc(-c2nnc(-c3ccccc3)o2)cc1.C.C.C.c1ccc(-c2nnc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)o2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccccc6c5c4)ccc32)cc1
• InChI: InChI=1S/C44H28N4O.C30H20N2.C14H9BrN2O.3CH4/c1-3-11-29(12-4-1)43-45-46-44(49-43)30-19-23-34(24-20-30)48-40-18-10-8-16-36(40)38-28-32(22-26-42(38)48)31-21-25-41-37(27-31)35-15-7-9-17-39(35)47(41)33-13-5-2-6-14-33;1-2-8-22(9-3-1)32-29-13-7-5-11-24(29)26-19-21(15-17-30(26)32)20-14-16-28-25(18-20)23-10-4-6-12-27(23)31-28;15-12-8-6-11(7-9-12)14-17-16-13(18-14)10-4-2-1-3-5-10;;;/h1-28H;1-19,31H;1-9H;3*1H4
• InChIKey: KQRABUVRDAWTLI-UHFFFAOYSA-N
• XLogP: 25.42
• TPSA: 108.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1386.51
LogP ≤ 5	25.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole;3-(9H-carbazol-3-yl)-9-phenylcarbazole;methane;2-phenyl-5-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,4-oxadiazole (CID 159212514) is 2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole;3-(9H-carbazol-3-yl)-9-phenylcarbazole;methane;2-phenyl-5-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,4-oxadiazole.

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

The canonical SMILES for 2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole;3-(9H-carbazol-3-yl)-9-phenylcarbazole;methane;2-phenyl-5-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,4-oxadiazole is Brc1ccc(-c2nnc(-c3ccccc3)o2)cc1.C.C.C.c1ccc(-c2nnc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)o2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccccc6c5c4)ccc32)cc1.

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

The InChIKey is KQRABUVRDAWTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4O.C30H20N2.C14H9BrN2O.3CH4/c1-3-11-29(12-4-1)43-45-46-44(49-43)30-19-23-34(24-20-30)48-40-18-10-8-16-36(40)38-28-32(22-26-42(38)48)31-21-25-41-37(27-31)35-15-7-9-17-39(35)47(41)33-13-5-2-6-14-33;1-2-8-22(9-3-1)32-29-13-7-5-11-24(29)26-19-21(15-17-30(26)32)20-14-16-28-25(18-20)23-10-4-6-12-27(23)31-28;15-12-8-6-11(7-9-12)14-17-16-13(18-14)10-4-2-1-3-5-10;;;/h1-28H;1-19,31H;1-9H;3*1H4.

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

2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole;3-(9H-carbazol-3-yl)-9-phenylcarbazole;methane;2-phenyl-5-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,4-oxadiazole has a molecular weight of 1386.51 g/mol, XLogP of 25.42, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole;3-(9H-carbazol-3-yl)-9-phenylcarbazole;methane;2-phenyl-5-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 159212514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159212514 — identifiers, structure, computed properties (public domain)

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