CID 22020378

4,4'-bis(9-carbazolyl)-2,2'-dimethylbiphenyl

Structural Information

Molecular Formula
C38H28N2
SMILES
CC1=C(C=CC(=C1)N2C3=CC=CC=C3C4=CC=CC=C42)C5=C(C=C(C=C5)N6C7=CC=CC=C7C8=CC=CC=C86)C
InChI
InChI=1S/C38H28N2/c1-25-23-27(39-35-15-7-3-11-31(35)32-12-4-8-16-36(32)39)19-21-29(25)30-22-20-28(24-26(30)2)40-37-17-9-5-13-33(37)34-14-6-10-18-38(34)40/h3-24H,1-2H3
InChIKey
LTUJKAYZIMMJEP-UHFFFAOYSA-N
Compound name
9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11348
Patents

512.2252 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.23248 233.8
[M+Na]+ 535.21442 245.6
[M-H]- 511.21792 248.6
[M+NH4]+ 530.25902 243.8
[M+K]+ 551.18836 233.7
[M+H-H2O]+ 495.22246 220.1
[M+HCOO]- 557.22340 252.0
[M+CH3COO]- 571.23905 242.0
[M+Na-2H]- 533.19987 232.9
[M]+ 512.22465 238.3
[M]- 512.22575 238.3
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