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10425-52-2 | Isoquinoline,1-(3,4,5-triphenyl-1H-pyrrol-2-yl)-
CAS No: 10425-52-2 Catalog No: AG007I7O MDL No:
Product Description
Catalog Number:
AG007I7O
Chemical Name:
Isoquinoline,1-(3,4,5-triphenyl-1H-pyrrol-2-yl)-
CAS Number:
10425-52-2
Molecular Formula:
C31H22N2
Molecular Weight:
422.5198
IUPAC Name:
1-(3,4,5-triphenyl-1H-pyrrol-2-yl)isoquinoline
InChI:
InChI=1S/C31H22N2/c1-4-13-23(14-5-1)27-28(24-15-6-2-7-16-24)31(33-29(27)25-17-8-3-9-18-25)30-26-19-11-10-12-22(26)20-21-32-30/h1-21,33H
InChI Key:
VGJFVAPAEXMESO-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1[nH]c(c(c1c1ccccc1)c1ccccc1)c1nccc2c1cccc2
NSC Number:
116642
Properties
Complexity:
600
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.178g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
422.531g/mol
Monoisotopic Mass:
422.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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