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144728-67-6 | 26,27,28,29,30-Pentaazahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-1,3,5,7,9,11(29),12,14,16(28),17,19,21,23(26),24-tetradecaene
CAS No: 144728-67-6 Catalog No: AG001K2V MDL No:
Product Description
Catalog Number:
AG001K2V
Chemical Name:
26,27,28,29,30-Pentaazahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-1,3,5,7,9,11(29),12,14,16(28),17,19,21,23(26),24-tetradecaene
CAS Number:
144728-67-6
Molecular Formula:
C25H17N5
Molecular Weight:
387.4360
IUPAC Name:
26,27,28,29,30-pentazahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-1(26),2,4,6,8,10,12,14,16(28),17,19,21(27),22,24-tetradecaene
InChI:
InChI=1S/C25H17N5/c1-2-17-12-19-5-6-21(28-19)14-23-9-10-25(30-23)15-24-8-7-22(29-24)13-20-4-3-18(27-20)11-16(1)26-17/h1-15,26-27H
InChI Key:
YXIXFIMWVQIEOG-UHFFFAOYSA-N
SMILES:
C1=CC2=NC1=Cc1ccc([nH]1)C=C1C=CC(=N1)C=c1[nH]c(=CC3=NC(=C2)C=C3)cc1
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.148g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
387.446g/mol
Monoisotopic Mass:
387.148g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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