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

C48H29F3N6O2 — CID 147423142

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

2-[4,5-di(carbazol-9-yl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (PubChem CID 147423142) has the molecular formula C48H29F3N6O2 and a molecular weight of 778.79 g/mol. Its IUPAC name is 2-[4,5-di(carbazol-9-yl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[4,5-di(carbazol-9-yl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
• PubChem CID: 147423142
• Molecular Formula: C48H29F3N6O2
• Molecular Weight: 778.79 g/mol
• Exact Mass: 778.23
• IUPAC Name: 2-[4,5-di(carbazol-9-yl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
• SMILES: Cc1ccc(-c2nnc(-c3cc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)cc3-c3nnc(-c4ccc(C(F)(F)F)cc4)o3)o2)cc1
• InChI: InChI=1S/C48H29F3N6O2/c1-28-18-20-29(21-19-28)44-52-54-46(58-44)36-26-42(56-38-14-6-2-10-32(38)33-11-3-7-15-39(33)56)43(57-40-16-8-4-12-34(40)35-13-5-9-17-41(35)57)27-37(36)47-55-53-45(59-47)30-22-24-31(25-23-30)48(49,50)51/h2-27H,1H3
• InChIKey: DSWUBVBMNAJJGR-UHFFFAOYSA-N
• XLogP: 12.64
• TPSA: 87.70 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	778.79
LogP ≤ 5	12.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-di(carbazol-9-yl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?

The IUPAC name of 2-[4,5-di(carbazol-9-yl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (CID 147423142) is 2-[4,5-di(carbazol-9-yl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-[4,5-di(carbazol-9-yl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?

The canonical SMILES for 2-[4,5-di(carbazol-9-yl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is Cc1ccc(-c2nnc(-c3cc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)cc3-c3nnc(-c4ccc(C(F)(F)F)cc4)o3)o2)cc1.

What is the InChIKey of 2-[4,5-di(carbazol-9-yl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?

The InChIKey is DSWUBVBMNAJJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29F3N6O2/c1-28-18-20-29(21-19-28)44-52-54-46(58-44)36-26-42(56-38-14-6-2-10-32(38)33-11-3-7-15-39(33)56)43(57-40-16-8-4-12-34(40)35-13-5-9-17-41(35)57)27-37(36)47-55-53-45(59-47)30-22-24-31(25-23-30)48(49,50)51/h2-27H,1H3.

What are the key properties of 2-[4,5-di(carbazol-9-yl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?

2-[4,5-di(carbazol-9-yl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 778.79 g/mol, XLogP of 12.64, 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-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 147423142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).