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159638-20-7 | Imidazo[4,5-d]imidazole, octahydro-1,3,4,6-tetraphenyl-, cis-
CAS No: 159638-20-7 Catalog No: AG001R97 MDL No:
Product Description
Catalog Number:
AG001R97
Chemical Name:
Imidazo[4,5-d]imidazole, octahydro-1,3,4,6-tetraphenyl-, cis-
CAS Number:
159638-20-7
Molecular Formula:
C28H26N4
Molecular Weight:
418.5328
IUPAC Name:
1,3,4,6-tetraphenyl-2,3a,5,6a-tetrahydroimidazo[4,5-d]imidazole
InChI:
InChI=1S/C28H26N4/c1-5-13-23(14-6-1)29-21-30(24-15-7-2-8-16-24)28-27(29)31(25-17-9-3-10-18-25)22-32(28)26-19-11-4-12-20-26/h1-20,27-28H,21-22H2
InChI Key:
VFMGIFVQVTXVFJ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)N1CN([C@H]2[C@@H]1N(CN2c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.216g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
418.544g/mol
Monoisotopic Mass:
418.216g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
13A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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