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86864-01-9 | 1H-Pyrrole, 2,5-diphenyl-3-(1-phenyl-2-propenyl)-
CAS No: 86864-01-9 Catalog No: AG004PJB MDL No:
Product Description
Catalog Number:
AG004PJB
Chemical Name:
1H-Pyrrole, 2,5-diphenyl-3-(1-phenyl-2-propenyl)-
CAS Number:
86864-01-9
Molecular Formula:
C25H21N
Molecular Weight:
335.4409
IUPAC Name:
2,5-diphenyl-3-(1-phenylprop-2-enyl)-1H-pyrrole
InChI:
InChI=1S/C25H21N/c1-2-22(19-12-6-3-7-13-19)23-18-24(20-14-8-4-9-15-20)26-25(23)21-16-10-5-11-17-21/h2-18,22,26H,1H2
InChI Key:
NRBXWDVPZHZSHI-UHFFFAOYSA-N
SMILES:
C=CC(c1cc([nH]c1c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.167g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.45g/mol
Monoisotopic Mass:
335.167g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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