5-[4-(12-Acetyloxy-dodecyloxy)-phenyl]-10,15,20-tris-(3,5-dihexyloxy-phenyl)-porphyrin

HCID 136388358
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Basic information

Standard SMILES
CCCCCCOc1cc(OCCCCCC)cc(-c2c3nc(c(-c4cc(OCCCCCC)cc(OCCCCCC)c4)c4ccc([nH]4)c(-c4cc(OCCCCCC)cc(OCCCCCC)c4)c4nc(c(-c5ccc(OCCCCCCCCCCCCOC(C)=O)cc5)c5ccc2[nH]5)C=C4)C=C3)c1
InChIKey
RYHZHMPTTBSVGS-UHFFFAOYSA-N
Molecular formula
C94H128N4O9
Average molar mass
1,458 g/mol

Names & identifiers

Preferred name
5-[4-(12-Acetyloxy-dodecyloxy)-phenyl]-10,15,20-tris-(3,5-dihexyloxy-phenyl)-porphyrin
IUPAC
12-[4-[10,15,20-tris(3,5-dihexoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]dodecyl acetate

Names & synonyms

SCHEMBL6847497RYHZHMPTTBSVGS-UHFFFAOYSA-N5-[4-(12-Acetyloxy-dodecyloxy)-phenyl]-10,15,20-tris-(3,5-dihexyloxy-phenyl)-porphyrin

Database identifiers

PubChem CID
136388358

Properties

Computed structural properties

XLogP
28.8
Topological polar surface area
148 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
11
Rotatable bonds
55
Heavy atoms
107

Related reactions

1 records
New reaction record

Compound notes

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5-[4-(12-Acetyloxy-dodecyloxy)-phenyl]-10,15,20-tris-(3,5-dihexyloxy-phenyl)-porphyrin (HCID 136388358)｜Huagongshe