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183592-03-2 | 1H-Pyrrole, 1,1',1'',1''',1'''',1'''''-(1,2,3,4,5,6-benzenehexayl)hexakis-
CAS No: 183592-03-2 Catalog No: AG0027Q8 MDL No:
Product Description
Catalog Number:
AG0027Q8
Chemical Name:
1H-Pyrrole, 1,1',1'',1''',1'''',1'''''-(1,2,3,4,5,6-benzenehexayl)hexakis-
CAS Number:
183592-03-2
Molecular Formula:
C30H24N6
Molecular Weight:
468.5518
IUPAC Name:
1-[2,3,4,5,6-penta(pyrrol-1-yl)phenyl]pyrrole
InChI:
InChI=1S/C30H24N6/c1-2-14-31(13-1)25-26(32-15-3-4-16-32)28(34-19-7-8-20-34)30(36-23-11-12-24-36)29(35-21-9-10-22-35)27(25)33-17-5-6-18-33/h1-24H
InChI Key:
LLQRRQZTMPJPMZ-UHFFFAOYSA-N
SMILES:
c1ccn(c1)c1c(n2cccc2)c(n2cccc2)c(c(c1n1cccc1)n1cccc1)n1cccc1
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.206g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
468.564g/mol
Monoisotopic Mass:
468.206g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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