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161068-60-6 | Benzo[b]pyrido[4,3,2-de]quino[2,3,4-gh][1,10]phenanthroline
CAS No: 161068-60-6 Catalog No: AG001VMJ MDL No:
Product Description
Catalog Number:
AG001VMJ
Chemical Name:
Benzo[b]pyrido[4,3,2-de]quino[2,3,4-gh][1,10]phenanthroline
CAS Number:
161068-60-6
Molecular Formula:
C24H40N4
Molecular Weight:
384.6012
IUPAC Name:
3,13,16,26-tetrazaheptacyclo[13.11.1.12,10.04,9.017,22.023,27.014,28]octacosane
InChI:
InChI=1S/C24H40N4/c1-3-7-17-13(5-1)15-9-11-25-21-19(15)23(27-17)22-20-16(10-12-26-22)14-6-2-4-8-18(14)28-24(20)21/h13-28H,1-12H2
InChI Key:
QAVFLGKEAPZBJC-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1ccnc3c1c(n2)c1nccc2c1c3nc1c2cccc1
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.325g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
384.612g/mol
Monoisotopic Mass:
384.325g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
12
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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