CID 131852839

6,6'-dibromo-9,9'-diphenyl-3,3'-bicarbazole

Structural Information

Molecular Formula
C36H22Br2N2
SMILES
C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C=C(C=C6)Br)C7=CC=CC=C7)C8=C2C=CC(=C8)Br
InChI
InChI=1S/C36H22Br2N2/c37-25-13-17-35-31(21-25)29-19-23(11-15-33(29)39(35)27-7-3-1-4-8-27)24-12-16-34-30(20-24)32-22-26(38)14-18-36(32)40(34)28-9-5-2-6-10-28/h1-22H
InChIKey
VTIPHPNQFUCDAW-UHFFFAOYSA-N
Compound name
3-bromo-6-(6-bromo-9-phenylcarbazol-3-yl)-9-phenylcarbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

640.01495 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 641.02223 229.3
[M+Na]+ 663.00417 230.7
[M+NH4]+ 658.04877 232.3
[M+K]+ 678.97811 231.9
[M-H]- 639.00767 235.1
[M+Na-2H]- 660.98962 231.8
[M]+ 640.01440 230.7
[M]- 640.01550 230.7
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