CID 5103711

1,4-di([2,2':6',2''-terpyridin]-4'-yl)benzene

Structural Information

Molecular Formula
C36H24N6
SMILES
C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)C5=CC(=NC(=C5)C6=CC=CC=N6)C7=CC=CC=N7
InChI
InChI=1S/C36H24N6/c1-5-17-37-29(9-1)33-21-27(22-34(41-33)30-10-2-6-18-38-30)25-13-15-26(16-14-25)28-23-35(31-11-3-7-19-39-31)42-36(24-28)32-12-4-8-20-40-32/h1-24H
InChIKey
NXMHYAQTBVTLRK-UHFFFAOYSA-N
Compound name
4-[4-(2,6-dipyridin-2-ylpyridin-4-yl)phenyl]-2,6-dipyridin-2-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

127
Patents

540.20624 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.21352 238.7
[M+Na]+ 563.19546 244.6
[M-H]- 539.19896 249.3
[M+NH4]+ 558.24006 232.1
[M+K]+ 579.16940 230.5
[M+H-H2O]+ 523.20350 218.1
[M+HCOO]- 585.20444 249.7
[M+CH3COO]- 599.22009 241.4
[M+Na-2H]- 561.18091 242.3
[M]+ 540.20569 233.4
[M]- 540.20679 233.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe