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158537-58-7 | 1H-Pyrido[4'',3'':4',5']pyrrolo[3',2':4,5]benzimidazo[1,2-c]quinazoline (9CI)
CAS No: 158537-58-7 Catalog No: AG001Q9H MDL No:
Product Description
Catalog Number:
AG001Q9H
Chemical Name:
1H-Pyrido[4'',3'':4',5']pyrrolo[3',2':4,5]benzimidazo[1,2-c]quinazoline (9CI)
CAS Number:
158537-58-7
Molecular Formula:
C19H11N5
Molecular Weight:
309.3241
IUPAC Name:
6,9,14,16,24-pentazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15,17,19,22-undecaene
InChI:
InChI=1S/C19H11N5/c1-2-4-13-12(3-1)19-23-18-16(24(19)10-21-13)6-5-14-17(18)11-7-8-20-9-15(11)22-14/h1-2,4-10H,3H2
InChI Key:
IGINXARCWZZCBZ-UHFFFAOYSA-N
SMILES:
C1=CC=c2c(C1)c1nc3c(n1cn2)ccc1c3=c2ccncc2=N1
Properties
Complexity:
1060
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.101g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.332g/mol
Monoisotopic Mass:
309.101g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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