zinc [4-[10,15,20-tris(4-methylphenyl)porphyrin-22,24-diid-5-yl]phenyl]methanol

C48H36N4OZn — CID 11274195

About zinc [4-[10,15,20-tris(4-methylphenyl)porphyrin-22,24-diid-5-yl]phenyl]methanol

zinc [4-[10,15,20-tris(4-methylphenyl)porphyrin-22,24-diid-5-yl]phenyl]methanol (PubChem CID 11274195) has the molecular formula C48H36N4OZn and a molecular weight of 750.23 g/mol. Its IUPAC name is zinc [4-[10,15,20-tris(4-methylphenyl)porphyrin-22,24-diid-5-yl]phenyl]methanol.

Molecular Properties

• Compound Name: zinc [4-[10,15,20-tris(4-methylphenyl)porphyrin-22,24-diid-5-yl]phenyl]methanol
• PubChem CID: 11274195
• Molecular Formula: C48H36N4OZn
• Molecular Weight: 750.23 g/mol
• Exact Mass: 748.22
• IUPAC Name: zinc [4-[10,15,20-tris(4-methylphenyl)porphyrin-22,24-diid-5-yl]phenyl]methanol
• SMILES: Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([n-]4)c(-c4ccc(CO)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[n-]5)C=C4)C=C3)cc1.[Zn+2]
• InChI: InChI=1S/C48H36N4O.Zn/c1-29-4-12-33(13-5-29)45-37-20-22-39(49-37)46(34-14-6-30(2)7-15-34)41-24-26-43(51-41)48(36-18-10-32(28-53)11-19-36)44-27-25-42(52-44)47(40-23-21-38(45)50-40)35-16-8-31(3)9-17-35;/h4-27,53H,28H2,1-3H3;/q-2;+2/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-
• InChIKey: JXLXOIHROCKGCW-NHZJRHMYSA-N
• XLogP: 11.00
• TPSA: 74.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	750.23
LogP ≤ 5	11.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of zinc [4-[10,15,20-tris(4-methylphenyl)porphyrin-22,24-diid-5-yl]phenyl]methanol?

The IUPAC name of zinc [4-[10,15,20-tris(4-methylphenyl)porphyrin-22,24-diid-5-yl]phenyl]methanol (CID 11274195) is zinc [4-[10,15,20-tris(4-methylphenyl)porphyrin-22,24-diid-5-yl]phenyl]methanol.

What is the SMILES notation for zinc [4-[10,15,20-tris(4-methylphenyl)porphyrin-22,24-diid-5-yl]phenyl]methanol?

The canonical SMILES for zinc [4-[10,15,20-tris(4-methylphenyl)porphyrin-22,24-diid-5-yl]phenyl]methanol is Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([n-]4)c(-c4ccc(CO)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[n-]5)C=C4)C=C3)cc1.[Zn+2].

What is the InChIKey of zinc [4-[10,15,20-tris(4-methylphenyl)porphyrin-22,24-diid-5-yl]phenyl]methanol?

The InChIKey is JXLXOIHROCKGCW-NHZJRHMYSA-N. The full InChI is InChI=1S/C48H36N4O.Zn/c1-29-4-12-33(13-5-29)45-37-20-22-39(49-37)46(34-14-6-30(2)7-15-34)41-24-26-43(51-41)48(36-18-10-32(28-53)11-19-36)44-27-25-42(52-44)47(40-23-21-38(45)50-40)35-16-8-31(3)9-17-35;/h4-27,53H,28H2,1-3H3;/q-2;+2/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-;.

What are the key properties of zinc [4-[10,15,20-tris(4-methylphenyl)porphyrin-22,24-diid-5-yl]phenyl]methanol?

zinc [4-[10,15,20-tris(4-methylphenyl)porphyrin-22,24-diid-5-yl]phenyl]methanol has a molecular weight of 750.23 g/mol, XLogP of 11.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for zinc [4-[10,15,20-tris(4-methylphenyl)porphyrin-22,24-diid-5-yl]phenyl]methanol is sourced from PubChem (CID 11274195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).