porphyrin;hydroiodide

C20H13IN4 — CID 67022290

IUPACporphyrin;hydroiodide
SMILESC1=C/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3.I
InChIInChI=1S/C20H12N4.HI/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;/h1-12H;1H/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;
InChIKeyWLNCZVZQABPFJB-QDJBTJTOSA-N
MW436.26 g/mol
LogP4.20
Rot. Bonds

About porphyrin;hydroiodide

porphyrin;hydroiodide (PubChem CID 67022290) has the molecular formula C20H13IN4 and a molecular weight of 436.26 g/mol. Its IUPAC name is porphyrin;hydroiodide.

Molecular Properties

Compound Nameporphyrin;hydroiodide
PubChem CID67022290
Molecular FormulaC20H13IN4
Molecular Weight436.26 g/mol
Exact Mass436.02
IUPAC Nameporphyrin;hydroiodide
SMILESC1=C/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3.I
InChIInChI=1S/C20H12N4.HI/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;/h1-12H;1H/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;
InChIKeyWLNCZVZQABPFJB-QDJBTJTOSA-N
XLogP4.20
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.26
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of porphyrin;hydroiodide?
The IUPAC name of porphyrin;hydroiodide (CID 67022290) is porphyrin;hydroiodide.
What is the SMILES notation for porphyrin;hydroiodide?
The canonical SMILES for porphyrin;hydroiodide is C1=C/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3.I.
What is the InChIKey of porphyrin;hydroiodide?
The InChIKey is WLNCZVZQABPFJB-QDJBTJTOSA-N. The full InChI is InChI=1S/C20H12N4.HI/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;/h1-12H;1H/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;.
What are the key properties of porphyrin;hydroiodide?
porphyrin;hydroiodide has a molecular weight of 436.26 g/mol, XLogP of 4.20, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for porphyrin;hydroiodide is sourced from PubChem (CID 67022290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).