iron;5,10,15,20-tetrakis(4-fluorophenyl)-21,23-dihydroporphyrin

C44H26F4FeN4 — CID 174785933

About iron;5,10,15,20-tetrakis(4-fluorophenyl)-21,23-dihydroporphyrin

iron;5,10,15,20-tetrakis(4-fluorophenyl)-21,23-dihydroporphyrin (PubChem CID 174785933) has the molecular formula C44H26F4FeN4 and a molecular weight of 742.56 g/mol. Its IUPAC name is iron;5,10,15,20-tetrakis(4-fluorophenyl)-21,23-dihydroporphyrin.

Molecular Properties

• Compound Name: iron;5,10,15,20-tetrakis(4-fluorophenyl)-21,23-dihydroporphyrin
• PubChem CID: 174785933
• Molecular Formula: C44H26F4FeN4
• Molecular Weight: 742.56 g/mol
• Exact Mass: 742.14
• IUPAC Name: iron;5,10,15,20-tetrakis(4-fluorophenyl)-21,23-dihydroporphyrin
• SMILES: Fc1ccc(-c2c3nc(c(-c4ccc(F)cc4)c4ccc([nH]4)c(-c4ccc(F)cc4)c4nc(c(-c5ccc(F)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[Fe]
• InChI: InChI=1S/C44H26F4N4.Fe/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27;/h1-24,49,52H;/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
• InChIKey: AESROAOOYJECCD-DAJBKUBHSA-N
• XLogP: 11.88
• TPSA: 57.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.56
LogP ≤ 5	11.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of iron;5,10,15,20-tetrakis(4-fluorophenyl)-21,23-dihydroporphyrin?

The IUPAC name of iron;5,10,15,20-tetrakis(4-fluorophenyl)-21,23-dihydroporphyrin (CID 174785933) is iron;5,10,15,20-tetrakis(4-fluorophenyl)-21,23-dihydroporphyrin.

What is the SMILES notation for iron;5,10,15,20-tetrakis(4-fluorophenyl)-21,23-dihydroporphyrin?

The canonical SMILES for iron;5,10,15,20-tetrakis(4-fluorophenyl)-21,23-dihydroporphyrin is Fc1ccc(-c2c3nc(c(-c4ccc(F)cc4)c4ccc([nH]4)c(-c4ccc(F)cc4)c4nc(c(-c5ccc(F)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[Fe].

What is the InChIKey of iron;5,10,15,20-tetrakis(4-fluorophenyl)-21,23-dihydroporphyrin?

The InChIKey is AESROAOOYJECCD-DAJBKUBHSA-N. The full InChI is InChI=1S/C44H26F4N4.Fe/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27;/h1-24,49,52H;/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;.

What are the key properties of iron;5,10,15,20-tetrakis(4-fluorophenyl)-21,23-dihydroporphyrin?

iron;5,10,15,20-tetrakis(4-fluorophenyl)-21,23-dihydroporphyrin has a molecular weight of 742.56 g/mol, XLogP of 11.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for iron;5,10,15,20-tetrakis(4-fluorophenyl)-21,23-dihydroporphyrin is sourced from PubChem (CID 174785933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).