tetrapotassium;4-[4-[10,15,20-tris[4-(3-carboxylatopropoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]butanoate

C60H50K4N4O12 — CID 136832974

About tetrapotassium;4-[4-[10,15,20-tris[4-(3-carboxylatopropoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]butanoate

tetrapotassium;4-[4-[10,15,20-tris[4-(3-carboxylatopropoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]butanoate (PubChem CID 136832974) has the molecular formula C60H50K4N4O12 and a molecular weight of 1175.47 g/mol. Its IUPAC name is tetrapotassium;4-[4-[10,15,20-tris[4-(3-carboxylatopropoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]butanoate.

Molecular Properties

• Compound Name: tetrapotassium;4-[4-[10,15,20-tris[4-(3-carboxylatopropoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]butanoate
• PubChem CID: 136832974
• Molecular Formula: C60H50K4N4O12
• Molecular Weight: 1175.47 g/mol
• Exact Mass: 1174.20
• IUPAC Name: tetrapotassium;4-[4-[10,15,20-tris[4-(3-carboxylatopropoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]butanoate
• SMILES: O=C([O-])CCCOc1ccc(-c2c3nc(c(-c4ccc(OCCCC(=O)[O-])cc4)c4ccc([nH]4)c(-c4ccc(OCCCC(=O)[O-])cc4)c4nc(c(-c5ccc(OCCCC(=O)[O-])cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[K+].[K+].[K+].[K+]
• InChI: InChI=1S/C60H54N4O12.4K/c65-53(66)5-1-33-73-41-17-9-37(10-18-41)57-45-25-27-47(61-45)58(38-11-19-42(20-12-38)74-34-2-6-54(67)68)49-29-31-51(63-49)60(40-15-23-44(24-16-40)76-36-4-8-56(71)72)52-32-30-50(64-52)59(48-28-26-46(57)62-48)39-13-21-43(22-14-39)75-35-3-7-55(69)70;;;;/h9-32,61,64H,1-8,33-36H2,(H,65,66)(H,67,68)(H,69,70)(H,71,72);;;;/q;4*+1/p-4/b57-45-,57-46-,58-47-,58-49-,59-48-,59-50-,60-51-,60-52-
• InChIKey: HLHXLAUOCVKFEH-DRYPWSKQSA-J
• XLogP: -5.02
• TPSA: 254.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 24
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1175.47
LogP ≤ 5	-5.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrapotassium;4-[4-[10,15,20-tris[4-(3-carboxylatopropoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]butanoate?

The IUPAC name of tetrapotassium;4-[4-[10,15,20-tris[4-(3-carboxylatopropoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]butanoate (CID 136832974) is tetrapotassium;4-[4-[10,15,20-tris[4-(3-carboxylatopropoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]butanoate.

What is the SMILES notation for tetrapotassium;4-[4-[10,15,20-tris[4-(3-carboxylatopropoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]butanoate?

The canonical SMILES for tetrapotassium;4-[4-[10,15,20-tris[4-(3-carboxylatopropoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]butanoate is O=C([O-])CCCOc1ccc(-c2c3nc(c(-c4ccc(OCCCC(=O)[O-])cc4)c4ccc([nH]4)c(-c4ccc(OCCCC(=O)[O-])cc4)c4nc(c(-c5ccc(OCCCC(=O)[O-])cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[K+].[K+].[K+].[K+].

What is the InChIKey of tetrapotassium;4-[4-[10,15,20-tris[4-(3-carboxylatopropoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]butanoate?

The InChIKey is HLHXLAUOCVKFEH-DRYPWSKQSA-J. The full InChI is InChI=1S/C60H54N4O12.4K/c65-53(66)5-1-33-73-41-17-9-37(10-18-41)57-45-25-27-47(61-45)58(38-11-19-42(20-12-38)74-34-2-6-54(67)68)49-29-31-51(63-49)60(40-15-23-44(24-16-40)76-36-4-8-56(71)72)52-32-30-50(64-52)59(48-28-26-46(57)62-48)39-13-21-43(22-14-39)75-35-3-7-55(69)70;;;;/h9-32,61,64H,1-8,33-36H2,(H,65,66)(H,67,68)(H,69,70)(H,71,72);;;;/q;4*+1/p-4/b57-45-,57-46-,58-47-,58-49-,59-48-,59-50-,60-51-,60-52-;;;;.

What are the key properties of tetrapotassium;4-[4-[10,15,20-tris[4-(3-carboxylatopropoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]butanoate?

tetrapotassium;4-[4-[10,15,20-tris[4-(3-carboxylatopropoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]butanoate has a molecular weight of 1175.47 g/mol, XLogP of -5.02, 24 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for tetrapotassium;4-[4-[10,15,20-tris[4-(3-carboxylatopropoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]butanoate is sourced from PubChem (CID 136832974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).