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1416881-52-1 | 1,3-Benzenedicarbonitrile, 2,4,5,6-tetra-9H-carbazol-9-yl-
CAS No: 1416881-52-1 Catalog No: AG001GW9 MDL No:
Product Description
Catalog Number:
AG001GW9
Chemical Name:
1,3-Benzenedicarbonitrile, 2,4,5,6-tetra-9H-carbazol-9-yl-
CAS Number:
1416881-52-1
Molecular Formula:
C56H32N6
Molecular Weight:
788.8935
IUPAC Name:
2,4,5,6-tetra(carbazol-9-yl)benzene-1,3-dicarbonitrile
InChI:
InChI=1S/C56H32N6/c57-33-43-53(59-45-25-9-1-17-35(45)36-18-2-10-26-46(36)59)44(34-58)55(61-49-29-13-5-21-39(49)40-22-6-14-30-50(40)61)56(62-51-31-15-7-23-41(51)42-24-8-16-32-52(42)62)54(43)60-47-27-11-3-19-37(47)38-20-4-12-28-48(38)60/h1-32H
InChI Key:
PRWATGACIORDEL-UHFFFAOYSA-N
SMILES:
N#Cc1c(n2c3ccccc3c3c2cccc3)c(n2c3ccccc3c3c2cccc3)c(c(c1n1c2ccccc2c2c1cccc2)C#N)n1c2ccccc2c2c1cccc2
Properties
Complexity:
1560
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
788.269g/mol
Formal Charge:
0
Heavy Atom Count:
62
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
788.914g/mol
Monoisotopic Mass:
788.269g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.7
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