4-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]morpholine-3,5-dione

C48H33N5O3 — CID 137248530

About 4-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]morpholine-3,5-dione

4-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]morpholine-3,5-dione (PubChem CID 137248530) has the molecular formula C48H33N5O3 and a molecular weight of 727.82 g/mol. Its IUPAC name is 4-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]morpholine-3,5-dione.

Molecular Properties

• Compound Name: 4-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]morpholine-3,5-dione
• PubChem CID: 137248530
• Molecular Formula: C48H33N5O3
• Molecular Weight: 727.82 g/mol
• Exact Mass: 727.26
• IUPAC Name: 4-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]morpholine-3,5-dione
• SMILES: O=C1COCC(=O)N1c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1
• InChI: InChI=1S/C48H33N5O3/c54-43-28-56-29-44(55)53(43)34-18-16-33(17-19-34)48-41-26-24-39(51-41)46(31-12-6-2-7-13-31)37-22-20-35(49-37)45(30-10-4-1-5-11-30)36-21-23-38(50-36)47(32-14-8-3-9-15-32)40-25-27-42(48)52-40/h1-27,49,52H,28-29H2/b45-35-,45-36-,46-37-,46-39-,47-38-,47-40-,48-41-,48-42-
• InChIKey: HVBTXGPSMRIXRX-MPSQMXPISA-N
• XLogP: 10.21
• TPSA: 103.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	727.82
LogP ≤ 5	10.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]morpholine-3,5-dione?

The IUPAC name of 4-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]morpholine-3,5-dione (CID 137248530) is 4-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]morpholine-3,5-dione.

What is the SMILES notation for 4-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]morpholine-3,5-dione?

The canonical SMILES for 4-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]morpholine-3,5-dione is O=C1COCC(=O)N1c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1.

What is the InChIKey of 4-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]morpholine-3,5-dione?

The InChIKey is HVBTXGPSMRIXRX-MPSQMXPISA-N. The full InChI is InChI=1S/C48H33N5O3/c54-43-28-56-29-44(55)53(43)34-18-16-33(17-19-34)48-41-26-24-39(51-41)46(31-12-6-2-7-13-31)37-22-20-35(49-37)45(30-10-4-1-5-11-30)36-21-23-38(50-36)47(32-14-8-3-9-15-32)40-25-27-42(48)52-40/h1-27,49,52H,28-29H2/b45-35-,45-36-,46-37-,46-39-,47-38-,47-40-,48-41-,48-42-.

What are the key properties of 4-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]morpholine-3,5-dione?

4-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]morpholine-3,5-dione has a molecular weight of 727.82 g/mol, XLogP of 10.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]morpholine-3,5-dione is sourced from PubChem (CID 137248530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).