Methyl 3-[8-cyano-13-ethenyl-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate

HCID 412396

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 6625-31-6
Standard SMILES: C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)OC)C(CCC(=O)OC)=C4C)c(C)c3C#N
InChIKey: ONASZKFJRQRWTK-UHFFFAOYSA-N
Molecular formula: C35H35N5O4
Average molar mass: 589.7 g/mol
Monoisotopic mass: 589.26890461

Names & identifiers

Preferred name: Methyl 3-[8-cyano-13-ethenyl-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
IUPAC: methyl 3-[8-cyano-13-ethenyl-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate

Names & synonyms

6625-31-6NSC39485methyl 3-[8-cyano-13-ethenyl-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoateDTXSID70328607NSC-39485Dimethyl 3,3'-(8-cyano-13-ethenyl-3,7,12,17-tetramethylporphyrin-2,18-diyl)dipropanoate

Database identifiers

CAS: 6625-31-6
PubChem CID: 412396
DTXSID: DTXSID70328607

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 134 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 9
Heavy atoms: 44
Formal charge: 0
Complexity: 1,090

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…