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

C55H32F6N6O2 — CID 101247731

IUPAC2-(4-carbazol-9-ylphenyl)-5-[4-[2-[4-[5-(4-carbazol-9-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)C(c1ccc(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)o2)cc1)(c1ccc(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)o2)cc1)C(F)(F)F
InChIInChI=1S/C55H32F6N6O2/c56-54(57,58)53(55(59,60)61,37-25-17-33(18-26-37)49-62-64-51(68-49)35-21-29-39(30-22-35)66-45-13-5-1-9-41(45)42-10-2-6-14-46(42)66)38-27-19-34(20-28-38)50-63-65-52(69-50)36-23-31-40(32-24-36)67-47-15-7-3-11-43(47)44-12-4-8-16-48(44)67/h1-32H
InChIKeyGUXKBLNGJCMUNH-UHFFFAOYSA-N
MW922.89 g/mol
LogP14.73
Rot. Bonds8

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

2-(4-carbazol-9-ylphenyl)-5-[4-[2-[4-[5-(4-carbazol-9-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3,4-oxadiazole (PubChem CID 101247731) has the molecular formula C55H32F6N6O2 and a molecular weight of 922.89 g/mol. Its IUPAC name is 2-(4-carbazol-9-ylphenyl)-5-[4-[2-[4-[5-(4-carbazol-9-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-carbazol-9-ylphenyl)-5-[4-[2-[4-[5-(4-carbazol-9-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3,4-oxadiazole
PubChem CID101247731
Molecular FormulaC55H32F6N6O2
Molecular Weight922.89 g/mol
Exact Mass922.25
IUPAC Name2-(4-carbazol-9-ylphenyl)-5-[4-[2-[4-[5-(4-carbazol-9-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)C(c1ccc(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)o2)cc1)(c1ccc(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)o2)cc1)C(F)(F)F
InChIInChI=1S/C55H32F6N6O2/c56-54(57,58)53(55(59,60)61,37-25-17-33(18-26-37)49-62-64-51(68-49)35-21-29-39(30-22-35)66-45-13-5-1-9-41(45)42-10-2-6-14-46(42)66)38-27-19-34(20-28-38)50-63-65-52(69-50)36-23-31-40(32-24-36)67-47-15-7-3-11-43(47)44-12-4-8-16-48(44)67/h1-32H
InChIKeyGUXKBLNGJCMUNH-UHFFFAOYSA-N
XLogP14.73
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.89
LogP ≤ 514.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

Acetonitrile;2-[4,5-di(carbazol-9-yl)-2-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 168345674
9-{4-[5-(4-t-Butylphenyl)-[1,3,4] oxadiazol-2-yl]-benzyl}-9h-carbazole
CID 101416588
2,5-Bis(3-carbazol-9-ylphenyl)-1,3,4-oxadiazole
CID 102168461
2,5-Bis(2-(9h-carbazole-9-yl)phenyl)-1,3,4-oxadiazole
CID 102521602
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
4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-N,N-bis[4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline
CID 59711221
2-[3,5-Di(carbazol-9-yl)phenyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 68023475
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-[4,5-Di(carbazol-9-yl)-2-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 122661579
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
2,7-bis(trifluoromethyl)-9H-fluorene;2-[4-[2-fluoro-7-(trifluoromethyl)carbazol-9-yl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 142301722
2-[3-Carbazol-9-yl-5-(4-methylcarbazol-9-yl)phenyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 144409188

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbazol-9-ylphenyl)-5-[4-[2-[4-[5-(4-carbazol-9-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-carbazol-9-ylphenyl)-5-[4-[2-[4-[5-(4-carbazol-9-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3,4-oxadiazole (CID 101247731) is 2-(4-carbazol-9-ylphenyl)-5-[4-[2-[4-[5-(4-carbazol-9-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-carbazol-9-ylphenyl)-5-[4-[2-[4-[5-(4-carbazol-9-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-carbazol-9-ylphenyl)-5-[4-[2-[4-[5-(4-carbazol-9-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3,4-oxadiazole is FC(F)(F)C(c1ccc(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)o2)cc1)(c1ccc(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)o2)cc1)C(F)(F)F.
What is the InChIKey of 2-(4-carbazol-9-ylphenyl)-5-[4-[2-[4-[5-(4-carbazol-9-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3,4-oxadiazole?
The InChIKey is GUXKBLNGJCMUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32F6N6O2/c56-54(57,58)53(55(59,60)61,37-25-17-33(18-26-37)49-62-64-51(68-49)35-21-29-39(30-22-35)66-45-13-5-1-9-41(45)42-10-2-6-14-46(42)66)38-27-19-34(20-28-38)50-63-65-52(69-50)36-23-31-40(32-24-36)67-47-15-7-3-11-43(47)44-12-4-8-16-48(44)67/h1-32H.
What are the key properties of 2-(4-carbazol-9-ylphenyl)-5-[4-[2-[4-[5-(4-carbazol-9-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3,4-oxadiazole?
2-(4-carbazol-9-ylphenyl)-5-[4-[2-[4-[5-(4-carbazol-9-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3,4-oxadiazole has a molecular weight of 922.89 g/mol, XLogP of 14.73, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbazol-9-ylphenyl)-5-[4-[2-[4-[5-(4-carbazol-9-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 101247731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).