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

C45H24F9N7O3 — CID 59711221

IUPAC4-[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
SMILESC1=CC(=CC=C1C2=NN=C(O2)C3=CC=C(C=C3)N(C4=CC=C(C=C4)C5=NN=C(O5)C6=CC=C(C=C6)C(F)(F)F)C7=CC=C(C=C7)C8=NN=C(O8)C9=CC=C(C=C9)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C45H24F9N7O3/c46-43(47,48)31-13-1-25(2-14-31)37-55-58-40(62-37)28-7-19-34(20-8-28)61(35-21-9-29(10-22-35)41-59-56-38(63-41)26-3-15-32(16-4-26)44(49,50)51)36-23-11-30(12-24-36)42-60-57-39(64-42)27-5-17-33(18-6-27)45(52,53)54/h1-24H
InChIKeyLRPHIJGJQYDTMI-UHFFFAOYSA-N
MW881.70 g/mol
LogP11.30
Rot. Bonds9

About 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

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 (PubChem CID 59711221) has the molecular formula C45H24F9N7O3 and a molecular weight of 881.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID59711221
Molecular FormulaC45H24F9N7O3
Molecular Weight881.70 g/mol
Exact Mass881.18
IUPAC Name4-[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
SMILESC1=CC(=CC=C1C2=NN=C(O2)C3=CC=C(C=C3)N(C4=CC=C(C=C4)C5=NN=C(O5)C6=CC=C(C=C6)C(F)(F)F)C7=CC=C(C=C7)C8=NN=C(O8)C9=CC=C(C=C9)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C45H24F9N7O3/c46-43(47,48)31-13-1-25(2-14-31)37-55-58-40(62-37)28-7-19-34(20-8-28)61(35-21-9-29(10-22-35)41-59-56-38(63-41)26-3-15-32(16-4-26)44(49,50)51)36-23-11-30(12-24-36)42-60-57-39(64-42)27-5-17-33(18-6-27)45(52,53)54/h1-24H
InChIKeyLRPHIJGJQYDTMI-UHFFFAOYSA-N
XLogP11.30
TPSA120.00 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds9
Heavy Atoms64
Complexity1300

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500881.70
LogP ≤ 511.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 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 with MolForge

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Related Compounds

1-[4-[5-[4-(4-fluorophenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine
CID 59643527
4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-[4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline
CID 71098996
(4E,6Z,9Z)-N-but-1-en-2-yl-N-[(E)-pent-3-en-2-yl]undeca-1,4,6,9-tetraen-4-amine;fluoroethane;fluoromethane;methyl 4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]anilino]benzenecarboximidate
CID 142984158
2-[3,5-bis[cyano-isocyano-(N-phenylanilino)methyl]phenyl]-2-isocyano-2-(N-phenylanilino)acetonitrile;N-[4-[4-(2,3,4,5,6-pentafluoro-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2,3,4,5,6-pentafluorophenyl)naphthalen-1-amine;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 159097239
N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-naphthalen-1-ylanilino)phenyl]propan-2-yl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-naphthalen-1-ylanilino)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(2,3,4,5,6-pentafluoro-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2,3,4,5,6-pentafluorophenyl)naphthalen-1-amine;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 160891225
5-[2-[2-[4-[5-(3,4-Dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
CID 164812956
5-[1,1,1,3,3,3-Hexafluoro-2-[2-[4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-2-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione
CID 164812959
5-[1,1,1,3,3,3-Hexafluoro-2-[2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione
CID 164812962
5-[2-[2-[4-[5-(3,4-Dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione
CID 164988300
2-Methyl-5-[1,1,1-trifluoro-2-[2-[2-methyl-4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione
CID 164988302
2,2'-1,4-Phenylenedi[5-(4-dimethylaminophenyl)-1,3,4-oxadiazole]
CID 590419
2-fluoro-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 1253215

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CC(=CC=C1C2=NN=C(O2)C3=CC=C(C=C3)N(C4=CC=C(C=C4)C5=NN=C(O5)C6=CC=C(C=C6)C(F)(F)F)C7=CC=C(C=C7)C8=NN=C(O8)C9=CC=C(C=C9)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is LRPHIJGJQYDTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H24F9N7O3/c46-43(47,48)31-13-1-25(2-14-31)37-55-58-40(62-37)28-7-19-34(20-8-28)61(35-21-9-29(10-22-35)41-59-56-38(63-41)26-3-15-32(16-4-26)44(49,50)51)36-23-11-30(12-24-36)42-60-57-39(64-42)27-5-17-33(18-6-27)45(52,53)54/h1-24H.
What are the key properties of 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?
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 has a molecular weight of 881.70 g/mol, XLogP of 11.30, 9 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59711221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).