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

3
Patents

640.01495 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 641.022226 238.1
[M+Na]+ 663.004168 248.5
[M-H]- 639.007674 252.7
[M+NH4]+ 658.048773 248.7
[M+K]+ 678.978108 235.5
[M+H-H2O]+ 623.012210 243.5
[M+HCOO]- 685.013151 250.4
[M+CH3COO]- 699.028801 246.5
[M+Na-2H]- 660.989616 237.7
[M]+ 640.01440142 272.4
[M]- 640.01549858 272.4
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