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95993-52-5 | PYRENE-3-ALDEHYDE-N,N-DIPHENYLHYDRAZONE
CAS No: 95993-52-5 Catalog No: AG005WCY MDL No:
Product Description
Catalog Number:
AG005WCY
Chemical Name:
PYRENE-3-ALDEHYDE-N,N-DIPHENYLHYDRAZONE
CAS Number:
95993-52-5
Molecular Formula:
C29H20N2
Molecular Weight:
396.4825
IUPAC Name:
N-phenyl-N-(pyren-1-ylmethylideneamino)aniline
InChI:
InChI=1S/C29H20N2/c1-3-10-25(11-4-1)31(26-12-5-2-6-13-26)30-20-24-17-16-23-15-14-21-8-7-9-22-18-19-27(24)29(23)28(21)22/h1-20H
InChI Key:
XFJPUTGGRPTSHI-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)N(c1ccccc1)N=Cc1ccc2c3c1ccc1c3c(cc2)ccc1
Properties
Complexity:
598
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.163g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.493g/mol
Monoisotopic Mass:
396.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
15.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
8.3
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