CID 5482153

5,15-diphenyl-10,20-di-4-n-methyl-pyridylporphyrin

Structural Information

Molecular Formula
C56H42N6
SMILES
C[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C8=CC=CC=C8)C9=CC=[N+](C=C9)C)C=C4)C1=CC=C(C=C1)C1=CC=CC=C1)N3
InChI
InChI=1S/C56H41N6/c1-61-33-29-43(30-34-61)55-49-25-21-45(57-49)53(41-17-13-39(14-18-41)37-9-5-3-6-10-37)47-23-27-51(59-47)56(44-31-35-62(2)36-32-44)52-28-24-48(60-52)54(46-22-26-50(55)58-46)42-19-15-40(16-20-42)38-11-7-4-8-12-38/h3-36H,1-2H3,(H,57,58,59,60)/q+1/p+1
InChIKey
OCDVBXLTARKPBI-UHFFFAOYSA-O
Compound name
5,15-bis(1-methylpyridin-1-ium-4-yl)-10,20-bis(4-phenylphenyl)-21,23-dihydroporphyrin
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

798.3471 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 799.35438 242.6
[M+Na]+ 821.33632 245.0
[M-H]- 797.33982 255.3
[M+NH4]+ 816.38092 236.5
[M+K]+ 837.31026 228.6
[M+H-H2O]+ 781.34436 235.6
[M+HCOO]- 843.34530 248.8
[M+CH3COO]- 857.36095 243.1
[M+Na-2H]- 819.32177 239.9
[M]+ 798.34655 242.4
[M]- 798.34765 242.4
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

No patent data available for this compound.