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122146-07-0 | 2H-Tetrazolium, 2,5-diphenyl-3-[4-(2-phenylethenyl)phenyl]-
CAS No: 122146-07-0 Catalog No: AG0016V3 MDL No:
Product Description
Catalog Number:
AG0016V3
Chemical Name:
2H-Tetrazolium, 2,5-diphenyl-3-[4-(2-phenylethenyl)phenyl]-
CAS Number:
122146-07-0
Molecular Formula:
C27H23N4+
Molecular Weight:
403.4983
IUPAC Name:
2,5-diphenyl-3-[4-(2-phenylethenyl)phenyl]-1H-tetrazol-1-ium
InChI:
InChI=1S/C27H22N4/c1-4-10-22(11-5-1)16-17-23-18-20-26(21-19-23)31-29-27(24-12-6-2-7-13-24)28-30(31)25-14-8-3-9-15-25/h1-21H,(H,28,29)/p+1
InChI Key:
CDJXJFDPAXBVDM-UHFFFAOYSA-O
SMILES:
c1ccc(cc1)C=Cc1ccc(cc1)N1N=C([NH2+]N1c1ccccc1)c1ccccc1
Properties
Complexity:
603
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.192g/mol
Formal Charge:
1
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
403.509g/mol
Monoisotopic Mass:
403.192g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.5
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