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138250-45-0 | Indeno[1,2-c]pyrrole, 2,8-dihydro-3-(1-isoquinolinyl)-1-phenyl-
CAS No: 138250-45-0 Catalog No: AG0018E9 MDL No:
Product Description
Catalog Number:
AG0018E9
Chemical Name:
Indeno[1,2-c]pyrrole, 2,8-dihydro-3-(1-isoquinolinyl)-1-phenyl-
CAS Number:
138250-45-0
Molecular Formula:
C26H18N2
Molecular Weight:
358.4345
IUPAC Name:
1-isoquinolin-1-yl-3-phenyl-2,4-dihydroindeno[1,2-c]pyrrole
InChI:
InChI=1S/C26H18N2/c1-2-9-18(10-3-1)24-22-16-19-11-5-6-12-20(19)23(22)26(28-24)25-21-13-7-4-8-17(21)14-15-27-25/h1-15,28H,16H2
InChI Key:
RQHYUGYNXDTPEE-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1[nH]c(c2c1Cc1c2cccc1)c1nccc2c1cccc2
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.147g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
358.444g/mol
Monoisotopic Mass:
358.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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