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10425-48-6 | Isoquinoline,1-(3,3,5-triphenyl-3H-pyrrol-2-yl)-
CAS No: 10425-48-6 Catalog No: AG00867L MDL No:
Product Description
Catalog Number:
AG00867L
Chemical Name:
Isoquinoline,1-(3,3,5-triphenyl-3H-pyrrol-2-yl)-
CAS Number:
10425-48-6
Molecular Formula:
C31H22N2
Molecular Weight:
422.5198
IUPAC Name:
1-(3,3,5-triphenylpyrrol-2-yl)isoquinoline
InChI:
InChI=1S/C31H22N2/c1-4-13-24(14-5-1)28-22-31(25-15-6-2-7-16-25,26-17-8-3-9-18-26)30(33-28)29-27-19-11-10-12-23(27)20-21-32-29/h1-22H
InChI Key:
HVUXMQFLQSOOBU-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1(C=C(N=C1c1nccc2c1cccc2)c1ccccc1)c1ccccc1
NSC Number:
116643
Properties
Complexity:
699
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:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.531g/mol
Monoisotopic Mass:
422.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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