porphyrin

C20H12N4 — CID 5481287

IUPACporphyrin
SMILESC1=C/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3
InChIInChI=1S/C20H12N4/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/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-
InChIKeyAJYZYPAMLMSWHG-CEVVSZFKSA-N
MW308.34 g/mol
LogP3.58
Rot. Bonds

About porphyrin

porphyrin (PubChem CID 5481287) has the molecular formula C20H12N4 and a molecular weight of 308.34 g/mol. Its IUPAC name is porphyrin.

Molecular Properties

Compound Nameporphyrin
PubChem CID5481287
Molecular FormulaC20H12N4
Molecular Weight308.34 g/mol
Exact Mass308.11
IUPAC Nameporphyrin
SMILESC1=C/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3
InChIInChI=1S/C20H12N4/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/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-
InChIKeyAJYZYPAMLMSWHG-CEVVSZFKSA-N
XLogP3.58
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of porphyrin?
The IUPAC name of porphyrin (CID 5481287) is porphyrin.
What is the SMILES notation for porphyrin?
The canonical SMILES for porphyrin 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.
What is the InChIKey of porphyrin?
The InChIKey is AJYZYPAMLMSWHG-CEVVSZFKSA-N. The full InChI is InChI=1S/C20H12N4/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/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-.
What are the key properties of porphyrin?
porphyrin has a molecular weight of 308.34 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for porphyrin is sourced from PubChem (CID 5481287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).