Chemical ID: 6761646

c1ccc(cc1)C#Cc2ccc(cc2)c3c([nH+]c([nH]3)c4ccc(cc4)[N+](=O)[O-])c5ccc(cc5)C#Cc6ccccc6
Chemical ID:
6761646
Name [?]:
2-(4-nitrophenyl)-4,5-bis[4-(2-phenylethynyl)phenyl]-1,3-dihydroimidazole
SMILES [?]:
c1ccc(cc1)C#Cc2ccc(cc2)c3c([nH+]c([nH]3)c4ccc(cc4)[N+](=O)[O-])c5ccc(cc5)C#Cc6ccccc6
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C37H24N3O2+
All Atoms:66
Heavy Atoms:42
Chiral Atoms:0
ZAP Information [?]
Total:-20.3777
Area:880.711
Solvation:-42.3955
Coulombic:-19.8227
Bond Count [?]
All:47
Single:27
Double:18
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:542.605
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:11.25
LogP (Chemaxon):9.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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