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

IUPAC2-(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
SMILESBrc1ccc(-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
InChIInChI=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
InChIKeyKQRABUVRDAWTLI-UHFFFAOYSA-N
MW1386.51 g/mol
LogP25.42
Rot. Bonds9

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 Name2-(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 CID159212514
Molecular FormulaC91H69BrN8O2
Molecular Weight1386.51 g/mol
Exact Mass1384.47
IUPAC Name2-(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
SMILESBrc1ccc(-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
InChIInChI=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
InChIKeyKQRABUVRDAWTLI-UHFFFAOYSA-N
XLogP25.42
TPSA108.42 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001386.51
LogP ≤ 525.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-tert-butylphenyl)-5-[4-[6-[4-[5-[4-(2-fluoropropan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-9H-carbazol-3-yl]phenyl]-1,3,4-oxadiazole
CID 70904501
2-(9H-carbazol-3-yl)-5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazole
CID 21029080
2-(4-tert-butylphenyl)-5-[4-[6-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-9H-carbazol-3-yl]phenyl]-1,3,4-oxadiazole
CID 57610386
2-[4-(3,6-Diphenylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 58281802
N-(4-carbazol-9-ylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylaniline
CID 58903528
N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
CID 58903573
N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
CID 58903610
N-(4-carbazol-9-ylphenyl)-4-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylaniline
CID 58903633
2-Phenyl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-1,3,4-oxadiazole
CID 59227824
2-[4-[3-[9-(2-Methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazol-3-yl]propyl]phenyl]-5-[3-[5-[4-[3-[9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazol-3-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 59411999
2-[3-[3-[3,6-Bis(9-phenylcarbazol-3-yl)carbazol-9-yl]propyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59412022
2-[4-[3-[4-(3-Phenylcarbazol-9-yl)phenyl]propyl]phenyl]-5-[3-[3-[4-(3-phenylcarbazol-9-yl)phenyl]propyl]-5-[5-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 59412029

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).