CID 102593214

1685282-47-6

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

103
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 233.5
[M+Na]+ 992.34722 237.1
[M-H]- 968.35072 251.3
[M+NH4]+ 987.39182 224.9
[M+K]+ 1008.3212 227.7
[M+H-H2O]+ 952.35526 215.5
[M+HCOO]- 1014.3562 238.3
[M+CH3COO]- 1028.3719 233.7
[M+Na-2H]- 990.33267 227.4
[M]+ 969.35745 235.0
[M]- 969.35855 235.0
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