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

C45H30F3N7O3 — CID 71098996

IUPAC4-[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
SMILESCc1ccc(-c2nnc(-c3ccc(N(c4ccc(-c5nnc(-c6ccc(C)cc6)o5)cc4)c4ccc(-c5nnc(-c6ccc(C(F)(F)F)cc6)o5)cc4)cc3)o2)cc1
InChIInChI=1S/C45H30F3N7O3/c1-27-3-7-29(8-4-27)39-49-52-42(56-39)32-13-21-36(22-14-32)55(37-23-15-33(16-24-37)43-53-50-40(57-43)30-9-5-28(2)6-10-30)38-25-17-34(18-26-38)44-54-51-41(58-44)31-11-19-35(20-12-31)45(46,47)48/h3-26H,1-2H3
InChIKeyPBBLCKBWFMJRNF-UHFFFAOYSA-N
MW773.78 g/mol
LogP11.94
Rot. Bonds9

About 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

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 (PubChem CID 71098996) has the molecular formula C45H30F3N7O3 and a molecular weight of 773.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID71098996
Molecular FormulaC45H30F3N7O3
Molecular Weight773.78 g/mol
Exact Mass773.24
IUPAC Name4-[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
SMILESCc1ccc(-c2nnc(-c3ccc(N(c4ccc(-c5nnc(-c6ccc(C)cc6)o5)cc4)c4ccc(-c5nnc(-c6ccc(C(F)(F)F)cc6)o5)cc4)cc3)o2)cc1
InChIInChI=1S/C45H30F3N7O3/c1-27-3-7-29(8-4-27)39-49-52-42(56-39)32-13-21-36(22-14-32)55(37-23-15-33(16-24-37)43-53-50-40(57-43)30-9-5-28(2)6-10-30)38-25-17-34(18-26-38)44-54-51-41(58-44)31-11-19-35(20-12-31)45(46,47)48/h3-26H,1-2H3
InChIKeyPBBLCKBWFMJRNF-UHFFFAOYSA-N
XLogP11.94
TPSA120.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.78
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2nnc(-c3ccc(N(c4ccc(-c5nnc(-c6ccc(C)cc6)o5)cc4)c4ccc(-c5nnc(-c6ccc(C(F)(F)F)cc6)o5)cc4)cc3)o2)cc1.
What is the InChIKey of 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?
The InChIKey is PBBLCKBWFMJRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30F3N7O3/c1-27-3-7-29(8-4-27)39-49-52-42(56-39)32-13-21-36(22-14-32)55(37-23-15-33(16-24-37)43-53-50-40(57-43)30-9-5-28(2)6-10-30)38-25-17-34(18-26-38)44-54-51-41(58-44)31-11-19-35(20-12-31)45(46,47)48/h3-26H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 773.78 g/mol, XLogP of 11.94, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71098996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).