2-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]ethanol

C48H38N4O3 — CID 137254418

About 2-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]ethanol

2-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]ethanol (PubChem CID 137254418) has the molecular formula C48H38N4O3 and a molecular weight of 718.86 g/mol. Its IUPAC name is 2-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]ethanol
• PubChem CID: 137254418
• Molecular Formula: C48H38N4O3
• Molecular Weight: 718.86 g/mol
• Exact Mass: 718.29
• IUPAC Name: 2-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]ethanol
• SMILES: OCCOCCOc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1
• InChI: InChI=1S/C48H38N4O3/c53-28-29-54-30-31-55-36-18-16-35(17-19-36)48-43-26-24-41(51-43)46(33-12-6-2-7-13-33)39-22-20-37(49-39)45(32-10-4-1-5-11-32)38-21-23-40(50-38)47(34-14-8-3-9-15-34)42-25-27-44(48)52-42/h1-27,49,52-53H,28-31H2/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-
• InChIKey: XVGZVYIDPFRVNU-PJEPRTEXSA-N
• XLogP: 10.71
• TPSA: 96.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.86
LogP ≤ 5	10.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]ethanol?

The IUPAC name of 2-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]ethanol (CID 137254418) is 2-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]ethanol.

What is the SMILES notation for 2-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]ethanol?

The canonical SMILES for 2-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]ethanol is OCCOCCOc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1.

What is the InChIKey of 2-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]ethanol?

The InChIKey is XVGZVYIDPFRVNU-PJEPRTEXSA-N. The full InChI is InChI=1S/C48H38N4O3/c53-28-29-54-30-31-55-36-18-16-35(17-19-36)48-43-26-24-41(51-43)46(33-12-6-2-7-13-33)39-22-20-37(49-39)45(32-10-4-1-5-11-32)38-21-23-40(50-38)47(34-14-8-3-9-15-34)42-25-27-44(48)52-42/h1-27,49,52-53H,28-31H2/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-.

What are the key properties of 2-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]ethanol?

2-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]ethanol has a molecular weight of 718.86 g/mol, XLogP of 10.71, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]ethanol is sourced from PubChem (CID 137254418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).