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241-80-5 | Diindolo[3,2-b:3',2'-m]triphenodioxazine(8CI,9CI)
CAS No: 241-80-5 Catalog No: AG006X64 MDL No:
Product Description
Catalog Number:
AG006X64
Chemical Name:
Diindolo[3,2-b:3',2'-m]triphenodioxazine(8CI,9CI)
CAS Number:
241-80-5
Molecular Formula:
C30H18N4O2
Molecular Weight:
466.4895
IUPAC Name:
18,36-dioxa-4,14,22,32-tetrazanonacyclo[19.15.0.03,19.05,17.07,15.08,13.023,35.025,33.026,31]hexatriaconta-1(21),2,5(17),6,8,10,12,15,19,23(35),24,26,28,30,33-pentadecaene
InChI:
InChI=1S/C30H18N4O2/c1-3-7-19-15(5-1)17-9-23-27(11-21(17)31-19)35-29-14-26-30(13-25(29)33-23)36-28-12-22-18(10-24(28)34-26)16-6-2-4-8-20(16)32-22/h1-14,31-34H
InChI Key:
HPRQSUXCCOBYSQ-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)[nH]c1c2cc2c(c1)oc1c([nH]2)cc2c(c1)[nH]c1c(o2)cc2c(c1)c1c([nH]2)cccc1
Properties
Complexity:
789
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
466.143g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
466.5g/mol
Monoisotopic Mass:
466.143g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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