2-deuterioporphyrin

C20H12N4 — CID 56947293

IUPAC2-deuterioporphyrin
SMILES[2H]C1=CC2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1
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-/i1D
InChIKeyAJYZYPAMLMSWHG-OMNDCHDWSA-N
MW309.35 g/mol
LogP3.58
Rot. Bonds

About 2-deuterioporphyrin

2-deuterioporphyrin (PubChem CID 56947293) has the molecular formula C20H12N4 and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-deuterioporphyrin.

Molecular Properties

Compound Name2-deuterioporphyrin
PubChem CID56947293
Molecular FormulaC20H12N4
Molecular Weight309.35 g/mol
Exact Mass309.11
IUPAC Name2-deuterioporphyrin
SMILES[2H]C1=CC2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1
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-/i1D
InChIKeyAJYZYPAMLMSWHG-OMNDCHDWSA-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 ≤ 500309.35
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-deuterioporphyrin?
The IUPAC name of 2-deuterioporphyrin (CID 56947293) is 2-deuterioporphyrin.
What is the SMILES notation for 2-deuterioporphyrin?
The canonical SMILES for 2-deuterioporphyrin is [2H]C1=CC2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1.
What is the InChIKey of 2-deuterioporphyrin?
The InChIKey is AJYZYPAMLMSWHG-OMNDCHDWSA-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-/i1D.
What are the key properties of 2-deuterioporphyrin?
2-deuterioporphyrin has a molecular weight of 309.35 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 2-deuterioporphyrin is sourced from PubChem (CID 56947293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).