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

151
Patents

969.358 Da
Monoisotopic Mass

17.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 970.365276 233.5
[M+Na]+ 992.347218 237.1
[M-H]- 968.350724 251.3
[M+NH4]+ 987.391823 224.9
[M+K]+ 1008.321158 227.7
[M+H-H2O]+ 952.355260 215.5
[M+HCOO]- 1014.356201 238.3
[M+CH3COO]- 1028.371851 233.7
[M+Na-2H]- 990.332666 227.4
[M]+ 969.35745142 235.0
[M]- 969.35854858 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