CID 12103890

606129-90-2

Structural Information

Molecular Formula
C36H23N3
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC5=C(C=C4)NC6=C5C=C(C=C6)N7C8=CC=CC=C8C9=CC=CC=C97
InChI
InChI=1S/C36H23N3/c1-5-13-33-25(9-1)26-10-2-6-14-34(26)38(33)23-17-19-31-29(21-23)30-22-24(18-20-32(30)37-31)39-35-15-7-3-11-27(35)28-12-4-8-16-36(28)39/h1-22,37H
InChIKey
OGDZAJUZGODBKX-UHFFFAOYSA-N
Compound name
3,6-di(carbazol-9-yl)-9H-carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

224
Patents

497.1892 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.19648 224.2
[M+Na]+ 520.17842 247.6
[M+NH4]+ 515.22302 235.5
[M+K]+ 536.15236 238.4
[M-H]- 496.18192 234.6
[M+Na-2H]- 518.16387 233.9
[M]+ 497.18865 231.4
[M]- 497.18975 231.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe