Chemical ID: 4518722

CC1=NN(C(=O)C1=CN(c2ccccc2)c3ccccc3)c4ccccc4
Chemical ID:
4518722
Name [?]:
4-(diphenylaminomethylene)-5-methyl-2-phenyl-pyrazol-3-one
SMILES [?]:
CC1=NN(C(=O)C1=CN(c2ccccc2)c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C23H19N3O/c1-18-22(23(27)26(24-18)21-15-9-4-10-16-21)17-25(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-17H,1H3
InChi Info:
AuxInfo=1/0/N:1,13,19,25,12,14,18,20,24,26,11,15,17,21,23,27,8,2,10,16,22,7,5,3,9,4,6/E:(2,3)(5,6,7,8)(9,10)(11,12,13,14)(15,16)(19,20)/rA:27nCCNNCOCCNCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;d5;s2s5;w7;s8;s9;s10;d11;s12;d13;d10s14;s9;s16;d17;s18;d19;d16s20;s4;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H19N3O
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.8345
Area:550.913
Solvation:-1.9383
Coulombic:-25.735
Bond Count [?]
All:30
Single:18
Double:12
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:353.417
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.48
LogP (Chemaxon):5.54

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