CID 86280046

Tetraphenylporphyrin

Structural Information

Molecular Formula
C44H30N4
SMILES
C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)N3
InChI
InChI=1S/C44H30N4/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36/h1-28,45,48H
InChIKey
YNHJECZULSZAQK-UHFFFAOYSA-N
Compound name
5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

23
References

15353
Patents

614.2471 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 615.25438 239.2
[M+Na]+ 637.23632 260.1
[M+NH4]+ 632.28092 247.7
[M+K]+ 653.21026 253.6
[M-H]- 613.23982 249.3
[M+Na-2H]- 635.22177 248.7
[M]+ 614.24655 245.6
[M]- 614.24765 245.6
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