N-(3-imidazol-1-ylpropyl)-3-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)propanamide

C53H43N7O — CID 135423594

About N-(3-imidazol-1-ylpropyl)-3-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)propanamide

N-(3-imidazol-1-ylpropyl)-3-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)propanamide (PubChem CID 135423594) has the molecular formula C53H43N7O and a molecular weight of 793.98 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-3-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)propanamide.

Molecular Properties

• Compound Name: N-(3-imidazol-1-ylpropyl)-3-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)propanamide
• PubChem CID: 135423594
• Molecular Formula: C53H43N7O
• Molecular Weight: 793.98 g/mol
• Exact Mass: 793.35
• IUPAC Name: N-(3-imidazol-1-ylpropyl)-3-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)propanamide
• SMILES: O=C(CCc1cc2[nH]c1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c2-c2ccccc2)C=C3)C=C1)NCCCn1ccnc1
• InChI: InChI=1S/C53H43N7O/c61-48(55-30-13-32-60-33-31-54-35-60)29-22-40-34-47-51(38-18-9-3-10-19-38)45-26-25-43(57-45)49(36-14-5-1-6-15-36)41-23-24-42(56-41)50(37-16-7-2-8-17-37)44-27-28-46(58-44)52(53(40)59-47)39-20-11-4-12-21-39/h1-12,14-21,23-28,31,33-35,56,59H,13,22,29-30,32H2,(H,55,61)/b49-41-,49-43-,50-42-,50-44-,51-45-,51-47-,52-46-,53-52-
• InChIKey: RNHSBMQWUCVPRV-ONVMQCSCSA-N
• XLogP: 11.66
• TPSA: 104.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	793.98
LogP ≤ 5	11.66
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 N-(3-imidazol-1-ylpropyl)-3-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)propanamide?

The IUPAC name of N-(3-imidazol-1-ylpropyl)-3-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)propanamide (CID 135423594) is N-(3-imidazol-1-ylpropyl)-3-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)propanamide.

What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-3-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)propanamide?

The canonical SMILES for N-(3-imidazol-1-ylpropyl)-3-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)propanamide is O=C(CCc1cc2[nH]c1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c2-c2ccccc2)C=C3)C=C1)NCCCn1ccnc1.

What is the InChIKey of N-(3-imidazol-1-ylpropyl)-3-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)propanamide?

The InChIKey is RNHSBMQWUCVPRV-ONVMQCSCSA-N. The full InChI is InChI=1S/C53H43N7O/c61-48(55-30-13-32-60-33-31-54-35-60)29-22-40-34-47-51(38-18-9-3-10-19-38)45-26-25-43(57-45)49(36-14-5-1-6-15-36)41-23-24-42(56-41)50(37-16-7-2-8-17-37)44-27-28-46(58-44)52(53(40)59-47)39-20-11-4-12-21-39/h1-12,14-21,23-28,31,33-35,56,59H,13,22,29-30,32H2,(H,55,61)/b49-41-,49-43-,50-42-,50-44-,51-45-,51-47-,52-46-,53-52-.

What are the key properties of N-(3-imidazol-1-ylpropyl)-3-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)propanamide?

N-(3-imidazol-1-ylpropyl)-3-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)propanamide has a molecular weight of 793.98 g/mol, XLogP of 11.66, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-imidazol-1-ylpropyl)-3-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)propanamide is sourced from PubChem (CID 135423594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).