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139377-96-1

139377-96-1 | 5,6,11,12,17,18,23,24-Octahydrocyclododeca[1,2-B:4,5-B':7,8-B'':10,11-B''']Tetraindole

CAS No: 139377-96-1 Catalog No: AG01DGVY MDL No:

Product Description

Catalog Number:
AG01DGVY
Chemical Name:
5,6,11,12,17,18,23,24-Octahydrocyclododeca[1,2-B:4,5-B':7,8-B'':10,11-B''']Tetraindole
CAS Number:
139377-96-1
Molecular Formula:
C36H28N4
Molecular Weight:
516.6343
IUPAC Name:
10,20,30,40-tetrazanonacyclo[31.7.0.03,11.04,9.013,21.014,19.023,31.024,29.034,39]tetraconta-1(33),3(11),4,6,8,13(21),14,16,18,23(31),24,26,28,34,36,38-hexadecaene
InChI:
InChI=1S/C36H28N4/c1-5-13-29-21(9-1)25-17-34-27(23-11-3-6-14-30(23)38-34)19-36-28(24-12-4-8-16-32(24)40-36)20-35-26(18-33(25)37-29)22-10-2-7-15-31(22)39-35/h1-16,37-40H,17-20H2
InChI Key:
GFMFKAGRKAFRON-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1Cc3[nH]c4c(c3Cc3[nH]c5c(c3Cc3c(Cc1[nH]2)c1ccccc1[nH]3)cccc5)cccc4

Properties

Complexity:
763  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
516.231g/mol
Formal Charge:
0
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
516.648g/mol
Monoisotopic Mass:
516.231g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3  

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