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86864-08-6 | 1H-Pyrrol-3-amine, N,2,5-triphenyl-
CAS No: 86864-08-6 Catalog No: AG004PJ8 MDL No:
Product Description
Catalog Number:
AG004PJ8
Chemical Name:
1H-Pyrrol-3-amine, N,2,5-triphenyl-
CAS Number:
86864-08-6
Molecular Formula:
C22H18N2
Molecular Weight:
310.3917
IUPAC Name:
N,2,5-triphenyl-1H-pyrrol-3-amine
InChI:
InChI=1S/C22H18N2/c1-4-10-17(11-5-1)20-16-21(23-19-14-8-3-9-15-19)22(24-20)18-12-6-2-7-13-18/h1-16,23-24H
InChI Key:
CKJQOPLYLBRWTB-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Nc1cc([nH]c1c1ccccc1)c1ccccc1
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.147g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.4g/mol
Monoisotopic Mass:
310.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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