5,10,15,20-tetrakis(4-iodophenyl)-21,23-dihydroporphyrin

C44H26I4N4 — CID 135546579

About 5,10,15,20-tetrakis(4-iodophenyl)-21,23-dihydroporphyrin

5,10,15,20-tetrakis(4-iodophenyl)-21,23-dihydroporphyrin (PubChem CID 135546579) has the molecular formula C44H26I4N4 and a molecular weight of 1118.34 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(4-iodophenyl)-21,23-dihydroporphyrin.

Molecular Properties

• Compound Name: 5,10,15,20-tetrakis(4-iodophenyl)-21,23-dihydroporphyrin
• PubChem CID: 135546579
• Molecular Formula: C44H26I4N4
• Molecular Weight: 1118.34 g/mol
• Exact Mass: 1117.83
• IUPAC Name: 5,10,15,20-tetrakis(4-iodophenyl)-21,23-dihydroporphyrin
• SMILES: Ic1ccc(-c2c3nc(c(-c4ccc(I)cc4)c4ccc([nH]4)c(-c4ccc(I)cc4)c4nc(c(-c5ccc(I)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
• InChI: InChI=1S/C44H26I4N4/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: FDXOCRYCRLCTRO-LWQDQPMZSA-N
• XLogP: 13.74
• TPSA: 57.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1118.34
LogP ≤ 5	13.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5,10,15,20-tetrakis(4-iodophenyl)-21,23-dihydroporphyrin (CID 135546579) is 5,10,15,20-tetrakis(4-iodophenyl)-21,23-dihydroporphyrin.

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

The canonical SMILES for 5,10,15,20-tetrakis(4-iodophenyl)-21,23-dihydroporphyrin is Ic1ccc(-c2c3nc(c(-c4ccc(I)cc4)c4ccc([nH]4)c(-c4ccc(I)cc4)c4nc(c(-c5ccc(I)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.

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

The InChIKey is FDXOCRYCRLCTRO-LWQDQPMZSA-N. The full InChI is InChI=1S/C44H26I4N4/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 5,10,15,20-tetrakis(4-iodophenyl)-21,23-dihydroporphyrin?

5,10,15,20-tetrakis(4-iodophenyl)-21,23-dihydroporphyrin has a molecular weight of 1118.34 g/mol, XLogP of 13.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5,10,15,20-tetrakis(4-iodophenyl)-21,23-dihydroporphyrin is sourced from PubChem (CID 135546579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).