zinc 5,10,15-triiodo-20-nonylporphyrin-22,24-diide

C29H27I3N4Zn — CID 58774140

IUPACzinc 5,10,15-triiodo-20-nonylporphyrin-22,24-diide
SMILESCCCCCCCCCc1c2nc(c(I)c3ccc([n-]3)c(I)c3nc(c(I)c4ccc1[n-]4)C=C3)C=C2.[Zn+2]
InChIInChI=1S/C29H27I3N4.Zn/c1-2-3-4-5-6-7-8-9-18-19-10-12-21(33-19)27(30)23-14-16-25(35-23)29(32)26-17-15-24(36-26)28(31)22-13-11-20(18)34-22;/h10-17H,2-9H2,1H3;/q-2;+2/b19-18-,20-18-,27-21+,27-23+,28-22+,28-24+,29-25+,29-26+;
InChIKeyKMMZOVKGECPKTQ-ZIQFNHGQSA-N
MW877.66 g/mol
LogP9.02
Rot. Bonds8

About zinc 5,10,15-triiodo-20-nonylporphyrin-22,24-diide

zinc 5,10,15-triiodo-20-nonylporphyrin-22,24-diide (PubChem CID 58774140) has the molecular formula C29H27I3N4Zn and a molecular weight of 877.66 g/mol. Its IUPAC name is zinc 5,10,15-triiodo-20-nonylporphyrin-22,24-diide.

Molecular Properties

Compound Namezinc 5,10,15-triiodo-20-nonylporphyrin-22,24-diide
PubChem CID58774140
Molecular FormulaC29H27I3N4Zn
Molecular Weight877.66 g/mol
Exact Mass875.87
IUPAC Namezinc 5,10,15-triiodo-20-nonylporphyrin-22,24-diide
SMILESCCCCCCCCCc1c2nc(c(I)c3ccc([n-]3)c(I)c3nc(c(I)c4ccc1[n-]4)C=C3)C=C2.[Zn+2]
InChIInChI=1S/C29H27I3N4.Zn/c1-2-3-4-5-6-7-8-9-18-19-10-12-21(33-19)27(30)23-14-16-25(35-23)29(32)26-17-15-24(36-26)28(31)22-13-11-20(18)34-22;/h10-17H,2-9H2,1H3;/q-2;+2/b19-18-,20-18-,27-21+,27-23+,28-22+,28-24+,29-25+,29-26+;
InChIKeyKMMZOVKGECPKTQ-ZIQFNHGQSA-N
XLogP9.02
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.66
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze zinc 5,10,15-triiodo-20-nonylporphyrin-22,24-diide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

zinc [4-[10-[4-(hydroxymethyl)phenyl]-15,20-di(undecyl)porphyrin-23,24-diid-5-yl]phenyl]methanol
CID 15970558
5,15-dibutyl-10,20-diphenylporphyrin-22,24-diide;nickel(2+)
CID 11114854
5,10,15,20-tetra(tridecyl)-21,22-dihydroporphyrin
CID 86045230
dizinc;5-[3-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]phenyl]-10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-22,24-diide
CID 22835449
zinc S-[5-[5-[5-[15-[5-[5-(5-acetylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-10,20-dipentylporphyrin-22,24-diid-5-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl] ethanethioate
CID 59538418
zinc 5-nonyl-10,15,20-tris(2-pyridin-2-ylethynyl)porphyrin-23,24-diide
CID 10373171
zinc 5,10,15,20-tetra(tridecan-7-yl)porphyrin-22,24-diide
CID 11159087
dizinc;5-butyl-15-[15-butyl-10,20-bis(3-methoxyphenyl)porphyrin-22,24-diid-5-yl]-10,20-bis(3-methoxyphenyl)porphyrin-22,24-diide
CID 71746166
chromium;5,10,15,20-tetrabutyl-21,22-dihydroporphyrin
CID 158233233
dizinc;5-pentyl-10,15,20-tris(2-pyridin-2-ylethynyl)porphyrin-22,24-diide;5,10,15-tris[2-(1-methylpyridin-1-ium-2-yl)ethynyl]-20-pentylporphyrin-22,24-diide;triiodide
CID 159184139
zinc 5-bromo-15-butyl-10,20-bis(3-methoxyphenyl)porphyrin-22,24-diide
CID 56651772
10,15,20-tripentyl-5-[4-[2-[4-(10,15,20-tripentyl-21,22-dihydroporphyrin-5-yl)phenyl]ethynyl]phenyl]-21,22-dihydroporphyrin
CID 11194197

Frequently Asked Questions

What is the IUPAC name of zinc 5,10,15-triiodo-20-nonylporphyrin-22,24-diide?
The IUPAC name of zinc 5,10,15-triiodo-20-nonylporphyrin-22,24-diide (CID 58774140) is zinc 5,10,15-triiodo-20-nonylporphyrin-22,24-diide.
What is the SMILES notation for zinc 5,10,15-triiodo-20-nonylporphyrin-22,24-diide?
The canonical SMILES for zinc 5,10,15-triiodo-20-nonylporphyrin-22,24-diide is CCCCCCCCCc1c2nc(c(I)c3ccc([n-]3)c(I)c3nc(c(I)c4ccc1[n-]4)C=C3)C=C2.[Zn+2].
What is the InChIKey of zinc 5,10,15-triiodo-20-nonylporphyrin-22,24-diide?
The InChIKey is KMMZOVKGECPKTQ-ZIQFNHGQSA-N. The full InChI is InChI=1S/C29H27I3N4.Zn/c1-2-3-4-5-6-7-8-9-18-19-10-12-21(33-19)27(30)23-14-16-25(35-23)29(32)26-17-15-24(36-26)28(31)22-13-11-20(18)34-22;/h10-17H,2-9H2,1H3;/q-2;+2/b19-18-,20-18-,27-21+,27-23+,28-22+,28-24+,29-25+,29-26+;.
What are the key properties of zinc 5,10,15-triiodo-20-nonylporphyrin-22,24-diide?
zinc 5,10,15-triiodo-20-nonylporphyrin-22,24-diide has a molecular weight of 877.66 g/mol, XLogP of 9.02, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 5,10,15-triiodo-20-nonylporphyrin-22,24-diide is sourced from PubChem (CID 58774140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).