Name: Name:1,3-Benzenedicarbonitrile, 2,4,5,6-tetra-9H-carbazol-9-yl-
Brand: Angene
SKU: AG001GW9
Rating: 90 (10 reviews)

1,3-Benzenedicarbonitrile, 2,4,5,6-tetra-9H-carbazol-9-yl-

CAS No.:

1416881-52-1

Catalog Number:

AG001GW9

Molecular Formula:

C56H32N6

Molecular Weight:

788.8935

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

MDL Number:

MFCD27939633

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

Complexity:

1560

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

788.269g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

788.914g/mol

Monoisotopic Mass:

788.269g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

13.7