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158723-40-1 | 5H-Benzo[10',1']phenanthro[3',2':4,5]imidazo[2,1-a]isoindole-5,10-dione
CAS No: 158723-40-1 Catalog No: AG001QT1 MDL No:
Product Description
Catalog Number:
AG001QT1
Chemical Name:
5H-Benzo[10',1']phenanthro[3',2':4,5]imidazo[2,1-a]isoindole-5,10-dione
CAS Number:
158723-40-1
Molecular Formula:
C25H12N2O2
Molecular Weight:
372.3750
IUPAC Name:
3,12-diazaheptacyclo[13.11.1.02,13.03,11.05,10.016,21.023,27]heptacosa-1(27),2(13),5,7,9,11,14,16,18,20,23,25-dodecaene-4,22-dione
InChI:
InChI=1S/C25H12N2O2/c28-23-14-7-2-1-6-13(14)19-12-20-22(17-10-5-11-18(23)21(17)19)27-24(26-20)15-8-3-4-9-16(15)25(27)29/h1-12H
InChI Key:
NFNMNLIKFOKCDD-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2c2c3c1cccc3c1c(c2)nc2n1C(=O)c1c2cccc1
Properties
Complexity:
736
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.09g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.383g/mol
Monoisotopic Mass:
372.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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