5,10,15,20-tetrakis(2,5-dichlorophenyl)-21,23-dihydroporphyrin;zinc

C44H22Cl8N4Zn — CID 175086452

About 5,10,15,20-tetrakis(2,5-dichlorophenyl)-21,23-dihydroporphyrin;zinc

5,10,15,20-tetrakis(2,5-dichlorophenyl)-21,23-dihydroporphyrin;zinc (PubChem CID 175086452) has the molecular formula C44H22Cl8N4Zn and a molecular weight of 955.70 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(2,5-dichlorophenyl)-21,23-dihydroporphyrin;zinc.

Molecular Properties

• Compound Name: 5,10,15,20-tetrakis(2,5-dichlorophenyl)-21,23-dihydroporphyrin;zinc
• PubChem CID: 175086452
• Molecular Formula: C44H22Cl8N4Zn
• Molecular Weight: 955.70 g/mol
• Exact Mass: 949.86
• IUPAC Name: 5,10,15,20-tetrakis(2,5-dichlorophenyl)-21,23-dihydroporphyrin;zinc
• SMILES: Clc1ccc(Cl)c(-c2c3nc(c(-c4cc(Cl)ccc4Cl)c4ccc([nH]4)c(-c4cc(Cl)ccc4Cl)c4nc(c(-c5cc(Cl)ccc5Cl)c5ccc2[nH]5)C=C4)C=C3)c1.[Zn]
• InChI: InChI=1S/C44H22Cl8N4.Zn/c45-21-1-5-29(49)25(17-21)41-33-9-11-35(53-33)42(26-18-22(46)2-6-30(26)50)37-13-15-39(55-37)44(28-20-24(48)4-8-32(28)52)40-16-14-38(56-40)43(36-12-10-34(41)54-36)27-19-23(47)3-7-31(27)51;/h1-20,53,56H;/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
• InChIKey: BKSOFJGUDHPXFV-DAJBKUBHSA-N
• XLogP: 16.55
• TPSA: 57.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	955.70
LogP ≤ 5	16.55
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 5,10,15,20-tetrakis(2,5-dichlorophenyl)-21,23-dihydroporphyrin;zinc?

The IUPAC name of 5,10,15,20-tetrakis(2,5-dichlorophenyl)-21,23-dihydroporphyrin;zinc (CID 175086452) is 5,10,15,20-tetrakis(2,5-dichlorophenyl)-21,23-dihydroporphyrin;zinc.

What is the SMILES notation for 5,10,15,20-tetrakis(2,5-dichlorophenyl)-21,23-dihydroporphyrin;zinc?

The canonical SMILES for 5,10,15,20-tetrakis(2,5-dichlorophenyl)-21,23-dihydroporphyrin;zinc is Clc1ccc(Cl)c(-c2c3nc(c(-c4cc(Cl)ccc4Cl)c4ccc([nH]4)c(-c4cc(Cl)ccc4Cl)c4nc(c(-c5cc(Cl)ccc5Cl)c5ccc2[nH]5)C=C4)C=C3)c1.[Zn].

What is the InChIKey of 5,10,15,20-tetrakis(2,5-dichlorophenyl)-21,23-dihydroporphyrin;zinc?

The InChIKey is BKSOFJGUDHPXFV-DAJBKUBHSA-N. The full InChI is InChI=1S/C44H22Cl8N4.Zn/c45-21-1-5-29(49)25(17-21)41-33-9-11-35(53-33)42(26-18-22(46)2-6-30(26)50)37-13-15-39(55-37)44(28-20-24(48)4-8-32(28)52)40-16-14-38(56-40)43(36-12-10-34(41)54-36)27-19-23(47)3-7-31(27)51;/h1-20,53,56H;/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(2,5-dichlorophenyl)-21,23-dihydroporphyrin;zinc?

5,10,15,20-tetrakis(2,5-dichlorophenyl)-21,23-dihydroporphyrin;zinc has a molecular weight of 955.70 g/mol, XLogP of 16.55, 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(2,5-dichlorophenyl)-21,23-dihydroporphyrin;zinc is sourced from PubChem (CID 175086452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).