2-[4,5-di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole

C46H28N6O2 — CID 122661578

IUPAC2-[4,5-di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3cc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)cc3-c3nnc(-c4ccccc4)o3)o2)cc1
InChIInChI=1S/C46H28N6O2/c1-3-15-29(16-4-1)43-47-49-45(53-43)35-27-41(51-37-23-11-7-19-31(37)32-20-8-12-24-38(32)51)42(28-36(35)46-50-48-44(54-46)30-17-5-2-6-18-30)52-39-25-13-9-21-33(39)34-22-10-14-26-40(34)52/h1-28H
InChIKeyHRADBVSDWXOXGB-UHFFFAOYSA-N
MW696.77 g/mol
LogP11.31
Rot. Bonds6

About 2-[4,5-di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole

2-[4,5-di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 122661578) has the molecular formula C46H28N6O2 and a molecular weight of 696.77 g/mol. Its IUPAC name is 2-[4,5-di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4,5-di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID122661578
Molecular FormulaC46H28N6O2
Molecular Weight696.77 g/mol
Exact Mass696.23
IUPAC Name2-[4,5-di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3cc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)cc3-c3nnc(-c4ccccc4)o3)o2)cc1
InChIInChI=1S/C46H28N6O2/c1-3-15-29(16-4-1)43-47-49-45(53-43)35-27-41(51-37-23-11-7-19-31(37)32-20-8-12-24-38(32)51)42(28-36(35)46-50-48-44(54-46)30-17-5-2-6-18-30)52-39-25-13-9-21-33(39)34-22-10-14-26-40(34)52/h1-28H
InChIKeyHRADBVSDWXOXGB-UHFFFAOYSA-N
XLogP11.31
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.77
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4,5-di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-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

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4,5-di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole (CID 122661578) is 2-[4,5-di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4,5-di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4,5-di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3cc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)cc3-c3nnc(-c4ccccc4)o3)o2)cc1.
What is the InChIKey of 2-[4,5-di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is HRADBVSDWXOXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N6O2/c1-3-15-29(16-4-1)43-47-49-45(53-43)35-27-41(51-37-23-11-7-19-31(37)32-20-8-12-24-38(32)51)42(28-36(35)46-50-48-44(54-46)30-17-5-2-6-18-30)52-39-25-13-9-21-33(39)34-22-10-14-26-40(34)52/h1-28H.
What are the key properties of 2-[4,5-di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
2-[4,5-di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 696.77 g/mol, XLogP of 11.31, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 122661578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).