CID 51358305

4,4',4''-tris[(3-methylphenyl)phenylamino]triphenylamine

Structural Information

Molecular Formula
C39H27N3
SMILES
C1=CC(=CC(=C1)C2=CC(=CC(=C2)C3=CC=CC(=C3)C4=CN=CC=C4)C5=CC=CC(=C5)C6=CN=CC=C6)C7=CN=CC=C7
InChI
InChI=1S/C39H27N3/c1-7-28(34-13-4-16-40-25-34)19-31(10-1)37-22-38(32-11-2-8-29(20-32)35-14-5-17-41-26-35)24-39(23-37)33-12-3-9-30(21-33)36-15-6-18-42-27-36/h1-27H
InChIKey
CINYXYWQPZSTOT-UHFFFAOYSA-N
Compound name
3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11689
Patents

537.2205 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.22778 241.0
[M+Na]+ 560.20972 245.9
[M-H]- 536.21322 255.0
[M+NH4]+ 555.25432 238.4
[M+K]+ 576.18366 233.2
[M+H-H2O]+ 520.21776 221.7
[M+HCOO]- 582.21870 255.5
[M+CH3COO]- 596.23435 244.8
[M+Na-2H]- 558.19517 242.4
[M]+ 537.21995 235.5
[M]- 537.22105 235.5
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