cyclophane

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 17
Total Number of Articles : 19
PubChem 15448870
Molecular Formula

C54H36

SMILES

C1C2C3=CC=CC=C3C4=C5C6CC7=CC=CC=C7C8=CC(=CC(=C8)C9=CC=CC=C9CC3C7=CC=CC=C7C(=C24)C3=C5C2=CC=CC=C62)C2=CC=CC=C21

InChI

InChI=1S/C54H36/c1-4-16-37-31(13-1)28-46-40-19-7-10-22-43(40)49-52(46)50-44-23-11-8-20-41(44)47-29-32-14-2-5-17-38(32)35-25-34(37)26-36(27-35)39-18-6-3-15-33(39)30-48-42-21-9-12-24-45(42)51(53(48)49)54(47)50/h1-27,46-48H,28-30H2

synonyms
  • cyclophane
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Properties
Property Value
MW 684.9 g/mol
HBD 0
HBA 0
Rotatable Bond Count 0
Exact Mass 684.281701148 g/mol
Monoisotopic Mass 684.281701148 g/mol
Heavy Atom Count 54
Isotope Atom Count 0
Atom Stereo Count 3
Covalent Unit Count 1
Complexity 1180
xlogp 13.1
Topological Polar Surface Area 0