CID 102593214

Ddcztrz

Structural Information

Molecular Formula
C69H43N7
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=CC(=C3)N4C5=CC=CC=C5C6=CC=CC=C64)N7C8=CC=CC=C8C9=CC=CC=C97)C1=CC(=CC(=C1)N1C2=CC=CC=C2C2=CC=CC=C21)N1C2=CC=CC=C2C2=CC=CC=C21
InChI
InChI=1S/C69H43N7/c1-2-20-44(21-3-1)67-70-68(45-38-47(73-59-30-12-4-22-51(59)52-23-5-13-31-60(52)73)42-48(39-45)74-61-32-14-6-24-53(61)54-25-7-15-33-62(54)74)72-69(71-67)46-40-49(75-63-34-16-8-26-55(63)56-27-9-17-35-64(56)75)43-50(41-46)76-65-36-18-10-28-57(65)58-29-11-19-37-66(58)76/h1-43H
InChIKey
XNQXMXOBMDPMNT-UHFFFAOYSA-N
Compound name
9-[3-carbazol-9-yl-5-[4-[3,5-di(carbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

969.358 Da
Monoisotopic Mass

17.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 970.36528 295.6
[M+Na]+ 992.34722 320.6
[M+NH4]+ 987.39182 302.6
[M+K]+ 1008.3212 309.6
[M-H]- 968.35072 311.3
[M+Na-2H]- 990.33267 305.4
[M]+ 969.35745 304.8
[M]- 969.35855 304.8
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