5-[4-(6Acetyloxy-hexyloxy)-phenyl]-10,15,20-tris(3,5-didecyloxy-phenyl)-porphyrin

HCID 136388359
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Basic information

Standard SMILES
CCCCCCCCCCOc1cc(OCCCCCCCCCC)cc(-c2c3nc(c(-c4cc(OCCCCCCCCCC)cc(OCCCCCCCCCC)c4)c4ccc([nH]4)c(-c4cc(OCCCCCCCCCC)cc(OCCCCCCCCCC)c4)c4nc(c(-c5ccc(OCCCCCCOC(C)=O)cc5)c5ccc2[nH]5)C=C4)C=C3)c1
InChIKey
ONQWSHLGUPYKMK-UHFFFAOYSA-N
Molecular formula
C112H164N4O9
Average molar mass
1,710.5 g/mol

Names & identifiers

Preferred name
5-[4-(6Acetyloxy-hexyloxy)-phenyl]-10,15,20-tris(3,5-didecyloxy-phenyl)-porphyrin
IUPAC
6-[4-[10,15,20-tris(3,5-didecoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]hexyl acetate

Names & synonyms

SCHEMBL6851842ONQWSHLGUPYKMK-UHFFFAOYSA-N5-[4-(6Acetyloxy-hexyloxy)-phenyl]-10,15,20-tris(3,5-didecyloxy-phenyl)-porphyrin

Database identifiers

PubChem CID
136388359

Properties

Computed structural properties

XLogP
38.5
Topological polar surface area
148 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
11
Rotatable bonds
73
Heavy atoms
125

Related reactions

1 records
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Compound notes

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