CID 57603892

850594-34-2

Structural Information

Molecular Formula
C52H36N2
SMILES
C1=CC=C2N(C3=CC=CC=C3C2=C1)C4=CC=C(C=C4)/C=C/C5=CC=C(C=C5)C6=CC=C(C=C6)/C=C/C7=CC=C(C=C7)N8C9=CC=CC=C9C1=CC=CC=C81
InChI
InChI=1S/C52H36N2/c1-5-13-49-45(9-1)46-10-2-6-14-50(46)53(49)43-33-25-39(26-34-43)19-17-37-21-29-41(30-22-37)42-31-23-38(24-32-42)18-20-40-27-35-44(36-28-40)54-51-15-7-3-11-47(51)48-12-4-8-16-52(48)54/h1-36H/b19-17+,20-18+
InChIKey
FNTXOILWZRIZJS-XPWSMXQVSA-N
Compound name
9-[4-[(E)-2-[4-[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]phenyl]ethenyl]phenyl]carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

688.28784 Da
Monoisotopic Mass

14.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 689.29512 279.1
[M+Na]+ 711.27706 304.6
[M+NH4]+ 706.32166 288.6
[M+K]+ 727.25100 289.0
[M-H]- 687.28056 294.9
[M+Na-2H]- 709.26251 293.0
[M]+ 688.28729 288.3
[M]- 688.28839 288.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe