ethyl 2-(5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2-yl)acetate

C48H36N4O2 — CID 136810706

IUPACethyl 2-(5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2-yl)acetate
SMILESCCOC(=O)CC1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1
InChIInChI=1S/C48H36N4O2/c1-2-54-43(53)30-35-29-42-46(33-19-11-5-12-20-33)40-26-25-38(50-40)44(31-15-7-3-8-16-31)36-23-24-37(49-36)45(32-17-9-4-10-18-32)39-27-28-41(51-39)47(48(35)52-42)34-21-13-6-14-22-34/h3-29,50-51H,2,30H2,1H3/b44-36-,44-38-,45-37-,45-39-,46-40-,46-42-,47-41-,48-47-
InChIKeyMYQCZAUSRSPOMW-ZDMNOSTMSA-N
MW700.84 g/mol
LogP11.65
Rot. Bonds7

About ethyl 2-(5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2-yl)acetate

ethyl 2-(5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2-yl)acetate (PubChem CID 136810706) has the molecular formula C48H36N4O2 and a molecular weight of 700.84 g/mol. Its IUPAC name is ethyl 2-(5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2-yl)acetate
PubChem CID136810706
Molecular FormulaC48H36N4O2
Molecular Weight700.84 g/mol
Exact Mass700.28
IUPAC Nameethyl 2-(5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2-yl)acetate
SMILESCCOC(=O)CC1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1
InChIInChI=1S/C48H36N4O2/c1-2-54-43(53)30-35-29-42-46(33-19-11-5-12-20-33)40-26-25-38(50-40)44(31-15-7-3-8-16-31)36-23-24-37(49-36)45(32-17-9-4-10-18-32)39-27-28-41(51-39)47(48(35)52-42)34-21-13-6-14-22-34/h3-29,50-51H,2,30H2,1H3/b44-36-,44-38-,45-37-,45-39-,46-40-,46-42-,47-41-,48-47-
InChIKeyMYQCZAUSRSPOMW-ZDMNOSTMSA-N
XLogP11.65
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.84
LogP ≤ 511.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[15-(3-ethoxy-3-oxopropyl)-10,20-diphenyl-21,22-dihydroporphyrin-5-yl]propanoate
CID 102393326
ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-oxo-2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]ethyl]amino]acetate
CID 136805897
7-bromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 135414314
diethyl 6-[10,15,20-tris[1,3-bis(ethoxycarbonyl)azulen-6-yl]-21,23-dihydroporphyrin-5-yl]azulene-1,3-dicarboxylate
CID 102371888
ethyl (2E,4E)-3-hydroxy-5-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)penta-2,4-dienoate
CID 135858953
ethyl 4-[15-(4-ethoxycarbonylphenyl)-10,20-bis(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]benzoate
CID 136859874
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
5-[3,5-dimethyl-6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)pyrazin-2-yl]-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 101445463
2-amino-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]acetamide
CID 136884117
ethyl 4-[10,15,20-tris(4-aminophenyl)-21,23-dihydroporphyrin-5-yl]benzoate
CID 136801785
dimethyl 2,7,12,17-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,19,21,23-tridecaene-21,22-dicarboxylate
CID 135443521
ethyl 2-[2-[10,15,20-tris[1-(2-ethoxy-2-oxoethyl)pyridin-1-ium-2-yl]-21,23-dihydroporphyrin-5-yl]pyridin-1-ium-1-yl]acetate
CID 135484195

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2-yl)acetate?
The IUPAC name of ethyl 2-(5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2-yl)acetate (CID 136810706) is ethyl 2-(5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2-yl)acetate?
The canonical SMILES for ethyl 2-(5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2-yl)acetate is CCOC(=O)CC1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.
What is the InChIKey of ethyl 2-(5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2-yl)acetate?
The InChIKey is MYQCZAUSRSPOMW-ZDMNOSTMSA-N. The full InChI is InChI=1S/C48H36N4O2/c1-2-54-43(53)30-35-29-42-46(33-19-11-5-12-20-33)40-26-25-38(50-40)44(31-15-7-3-8-16-31)36-23-24-37(49-36)45(32-17-9-4-10-18-32)39-27-28-41(51-39)47(48(35)52-42)34-21-13-6-14-22-34/h3-29,50-51H,2,30H2,1H3/b44-36-,44-38-,45-37-,45-39-,46-40-,46-42-,47-41-,48-47-.
What are the key properties of ethyl 2-(5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2-yl)acetate?
ethyl 2-(5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2-yl)acetate has a molecular weight of 700.84 g/mol, XLogP of 11.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2-yl)acetate is sourced from PubChem (CID 136810706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).