dizinc;21,22-dihydroporphyrin;tetraiodide

C20H14I4N4Zn2 — CID 173436903

IUPACdizinc;21,22-dihydroporphyrin;tetraiodide
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[I-].[I-].[I-].[I-].[Zn+2].[Zn+2]
InChIInChI=1S/C20H14N4.4HI.2Zn/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;;;;;;/h1-12,21-22H;4*1H;;/q;;;;;2*+2/p-4/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;;;;;
InChIKeyTZRSMYQKULMZEV-KCZIOIDGSA-J
MW948.76 g/mol
LogP-7.33
Rot. Bonds

About dizinc;21,22-dihydroporphyrin;tetraiodide

dizinc;21,22-dihydroporphyrin;tetraiodide (PubChem CID 173436903) has the molecular formula C20H14I4N4Zn2 and a molecular weight of 948.76 g/mol. Its IUPAC name is dizinc;21,22-dihydroporphyrin;tetraiodide.

Molecular Properties

Compound Namedizinc;21,22-dihydroporphyrin;tetraiodide
PubChem CID173436903
Molecular FormulaC20H14I4N4Zn2
Molecular Weight948.76 g/mol
Exact Mass945.60
IUPAC Namedizinc;21,22-dihydroporphyrin;tetraiodide
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[I-].[I-].[I-].[I-].[Zn+2].[Zn+2]
InChIInChI=1S/C20H14N4.4HI.2Zn/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;;;;;;/h1-12,21-22H;4*1H;;/q;;;;;2*+2/p-4/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;;;;;
InChIKeyTZRSMYQKULMZEV-KCZIOIDGSA-J
XLogP-7.33
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500948.76
LogP ≤ 5-7.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

zinc 21,22-dihydroporphyrin
CID 21123910
CID 175757831
CID 175757831
azanide;cobalt(2+);21,22-dihydroporphyrin
CID 175060320
azane;21,22-dihydroporphyrin;iron
CID 175545548
21,22-dihydroporphyrin;ethene
CID 158658158
bis(21,22-dihydroporphyrin);nickel;vanadium
CID 175299729
disodium;21,22-dihydroporphyrin;hydride
CID 174339672
azane;21,22-dihydroporphyrin;zinc
CID 175189190
21,23-dihydroporphyrin;trihydrochloride
CID 172691359
CID 88628527
CID 88628527
benzene;21,22-dihydroporphyrin;nickel;hydrate
CID 174957949
21,22-dihydroporphyrin;pyrazine
CID 175426535

Frequently Asked Questions

What is the IUPAC name of dizinc;21,22-dihydroporphyrin;tetraiodide?
The IUPAC name of dizinc;21,22-dihydroporphyrin;tetraiodide (CID 173436903) is dizinc;21,22-dihydroporphyrin;tetraiodide.
What is the SMILES notation for dizinc;21,22-dihydroporphyrin;tetraiodide?
The canonical SMILES for dizinc;21,22-dihydroporphyrin;tetraiodide is C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[I-].[I-].[I-].[I-].[Zn+2].[Zn+2].
What is the InChIKey of dizinc;21,22-dihydroporphyrin;tetraiodide?
The InChIKey is TZRSMYQKULMZEV-KCZIOIDGSA-J. The full InChI is InChI=1S/C20H14N4.4HI.2Zn/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;;;;;;/h1-12,21-22H;4*1H;;/q;;;;;2*+2/p-4/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;;;;;.
What are the key properties of dizinc;21,22-dihydroporphyrin;tetraiodide?
dizinc;21,22-dihydroporphyrin;tetraiodide has a molecular weight of 948.76 g/mol, XLogP of -7.33, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;21,22-dihydroporphyrin;tetraiodide is sourced from PubChem (CID 173436903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).