5,10,15,20-tetrakis[4-(2-methoxyethoxy)phenyl]-21,23-dihydroporphyrin

C56H54N4O8 — CID 135897818

IUPAC5,10,15,20-tetrakis[4-(2-methoxyethoxy)phenyl]-21,23-dihydroporphyrin
SMILESCOCCOc1ccc(-c2c3nc(c(-c4ccc(OCCOC)cc4)c4ccc([nH]4)c(-c4ccc(OCCOC)cc4)c4nc(c(-c5ccc(OCCOC)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C56H54N4O8/c1-61-29-33-65-41-13-5-37(6-14-41)53-45-21-23-47(57-45)54(38-7-15-42(16-8-38)66-34-30-62-2)49-25-27-51(59-49)56(40-11-19-44(20-12-40)68-36-32-64-4)52-28-26-50(60-52)55(48-24-22-46(53)58-48)39-9-17-43(18-10-39)67-35-31-63-3/h5-28,57,60H,29-36H2,1-4H3/b53-45-,53-46-,54-47-,54-49-,55-48-,55-50-,56-51-,56-52-
InChIKeyZGWQHFTZFBNMLI-YFLSTINXSA-N
MW911.07 g/mol
LogP11.42
Rot. Bonds20

About 5,10,15,20-tetrakis[4-(2-methoxyethoxy)phenyl]-21,23-dihydroporphyrin

5,10,15,20-tetrakis[4-(2-methoxyethoxy)phenyl]-21,23-dihydroporphyrin (PubChem CID 135897818) has the molecular formula C56H54N4O8 and a molecular weight of 911.07 g/mol. Its IUPAC name is 5,10,15,20-tetrakis[4-(2-methoxyethoxy)phenyl]-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis[4-(2-methoxyethoxy)phenyl]-21,23-dihydroporphyrin
PubChem CID135897818
Molecular FormulaC56H54N4O8
Molecular Weight911.07 g/mol
Exact Mass910.39
IUPAC Name5,10,15,20-tetrakis[4-(2-methoxyethoxy)phenyl]-21,23-dihydroporphyrin
SMILESCOCCOc1ccc(-c2c3nc(c(-c4ccc(OCCOC)cc4)c4ccc([nH]4)c(-c4ccc(OCCOC)cc4)c4nc(c(-c5ccc(OCCOC)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C56H54N4O8/c1-61-29-33-65-41-13-5-37(6-14-41)53-45-21-23-47(57-45)54(38-7-15-42(16-8-38)66-34-30-62-2)49-25-27-51(59-49)56(40-11-19-44(20-12-40)68-36-32-64-4)52-28-26-50(60-52)55(48-24-22-46(53)58-48)39-9-17-43(18-10-39)67-35-31-63-3/h5-28,57,60H,29-36H2,1-4H3/b53-45-,53-46-,54-47-,54-49-,55-48-,55-50-,56-51-,56-52-
InChIKeyZGWQHFTZFBNMLI-YFLSTINXSA-N
XLogP11.42
TPSA131.20 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.07
LogP ≤ 511.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis[4-(2-methoxyethoxy)phenyl]-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis[4-(2-methoxyethoxy)phenyl]-21,23-dihydroporphyrin (CID 135897818) is 5,10,15,20-tetrakis[4-(2-methoxyethoxy)phenyl]-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis[4-(2-methoxyethoxy)phenyl]-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis[4-(2-methoxyethoxy)phenyl]-21,23-dihydroporphyrin is COCCOc1ccc(-c2c3nc(c(-c4ccc(OCCOC)cc4)c4ccc([nH]4)c(-c4ccc(OCCOC)cc4)c4nc(c(-c5ccc(OCCOC)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of 5,10,15,20-tetrakis[4-(2-methoxyethoxy)phenyl]-21,23-dihydroporphyrin?
The InChIKey is ZGWQHFTZFBNMLI-YFLSTINXSA-N. The full InChI is InChI=1S/C56H54N4O8/c1-61-29-33-65-41-13-5-37(6-14-41)53-45-21-23-47(57-45)54(38-7-15-42(16-8-38)66-34-30-62-2)49-25-27-51(59-49)56(40-11-19-44(20-12-40)68-36-32-64-4)52-28-26-50(60-52)55(48-24-22-46(53)58-48)39-9-17-43(18-10-39)67-35-31-63-3/h5-28,57,60H,29-36H2,1-4H3/b53-45-,53-46-,54-47-,54-49-,55-48-,55-50-,56-51-,56-52-.
What are the key properties of 5,10,15,20-tetrakis[4-(2-methoxyethoxy)phenyl]-21,23-dihydroporphyrin?
5,10,15,20-tetrakis[4-(2-methoxyethoxy)phenyl]-21,23-dihydroporphyrin has a molecular weight of 911.07 g/mol, XLogP of 11.42, 20 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis[4-(2-methoxyethoxy)phenyl]-21,23-dihydroporphyrin is sourced from PubChem (CID 135897818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).