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

C48H28F4N6O2 — CID 122661610

IUPAC2-[4,5-di(carbazol-9-yl)-2-[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESFC(F)c1ccc(-c2nnc(-c3cc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)cc3-c3nnc(-c4ccc(C(F)F)cc4)o3)o2)cc1
InChIInChI=1S/C48H28F4N6O2/c49-43(50)27-17-21-29(22-18-27)45-53-55-47(59-45)35-25-41(57-37-13-5-1-9-31(37)32-10-2-6-14-38(32)57)42(58-39-15-7-3-11-33(39)34-12-4-8-16-40(34)58)26-36(35)48-56-54-46(60-48)30-23-19-28(20-24-30)44(51)52/h1-26,43-44H
InChIKeyFTFVNPKXVDAQLA-UHFFFAOYSA-N
MW796.78 g/mol
LogP13.19
Rot. Bonds8

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

2-[4,5-di(carbazol-9-yl)-2-[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazole (PubChem CID 122661610) has the molecular formula C48H28F4N6O2 and a molecular weight of 796.78 g/mol. Its IUPAC name is 2-[4,5-di(carbazol-9-yl)-2-[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4,5-di(carbazol-9-yl)-2-[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazole
PubChem CID122661610
Molecular FormulaC48H28F4N6O2
Molecular Weight796.78 g/mol
Exact Mass796.22
IUPAC Name2-[4,5-di(carbazol-9-yl)-2-[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESFC(F)c1ccc(-c2nnc(-c3cc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)cc3-c3nnc(-c4ccc(C(F)F)cc4)o3)o2)cc1
InChIInChI=1S/C48H28F4N6O2/c49-43(50)27-17-21-29(22-18-27)45-53-55-47(59-45)35-25-41(57-37-13-5-1-9-31(37)32-10-2-6-14-38(32)57)42(58-39-15-7-3-11-33(39)34-12-4-8-16-40(34)58)26-36(35)48-56-54-46(60-48)30-23-19-28(20-24-30)44(51)52/h1-26,43-44H
InChIKeyFTFVNPKXVDAQLA-UHFFFAOYSA-N
XLogP13.19
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.78
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4,5-di(carbazol-9-yl)-2-[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4,5-di(carbazol-9-yl)-2-[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazole (CID 122661610) is 2-[4,5-di(carbazol-9-yl)-2-[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4,5-di(carbazol-9-yl)-2-[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4,5-di(carbazol-9-yl)-2-[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazole is FC(F)c1ccc(-c2nnc(-c3cc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)cc3-c3nnc(-c4ccc(C(F)F)cc4)o3)o2)cc1.
What is the InChIKey of 2-[4,5-di(carbazol-9-yl)-2-[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazole?
The InChIKey is FTFVNPKXVDAQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28F4N6O2/c49-43(50)27-17-21-29(22-18-27)45-53-55-47(59-45)35-25-41(57-37-13-5-1-9-31(37)32-10-2-6-14-38(32)57)42(58-39-15-7-3-11-33(39)34-12-4-8-16-40(34)58)26-36(35)48-56-54-46(60-48)30-23-19-28(20-24-30)44(51)52/h1-26,43-44H.
What are the key properties of 2-[4,5-di(carbazol-9-yl)-2-[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazole?
2-[4,5-di(carbazol-9-yl)-2-[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 796.78 g/mol, XLogP of 13.19, 8 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-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 122661610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).