5-phenylporphyrin

C26H16N4 — CID 69293681

IUPAC5-phenylporphyrin
SMILESC1=C/C2=C/C3=N/C(=C\C4=N/C(=C(/c5ccccc5)C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3
InChIInChI=1S/C26H16N4/c1-2-4-17(5-3-1)26-24-12-10-22(29-24)15-20-8-6-18(27-20)14-19-7-9-21(28-19)16-23-11-13-25(26)30-23/h1-16H/b18-14-,19-14-,20-15-,21-16-,22-15-,23-16-,26-24-,26-25-
InChIKeyGMXXDDABDSGVAF-LQIRNWTPSA-N
MW384.44 g/mol
LogP5.11
Rot. Bonds1

About 5-phenylporphyrin

5-phenylporphyrin (PubChem CID 69293681) has the molecular formula C26H16N4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 5-phenylporphyrin.

Molecular Properties

Compound Name5-phenylporphyrin
PubChem CID69293681
Molecular FormulaC26H16N4
Molecular Weight384.44 g/mol
Exact Mass384.14
IUPAC Name5-phenylporphyrin
SMILESC1=C/C2=C/C3=N/C(=C\C4=N/C(=C(/c5ccccc5)C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3
InChIInChI=1S/C26H16N4/c1-2-4-17(5-3-1)26-24-12-10-22(29-24)15-20-8-6-18(27-20)14-19-7-9-21(28-19)16-23-11-13-25(26)30-23/h1-16H/b18-14-,19-14-,20-15-,21-16-,22-15-,23-16-,26-24-,26-25-
InChIKeyGMXXDDABDSGVAF-LQIRNWTPSA-N
XLogP5.11
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenylporphyrin?
The IUPAC name of 5-phenylporphyrin (CID 69293681) is 5-phenylporphyrin.
What is the SMILES notation for 5-phenylporphyrin?
The canonical SMILES for 5-phenylporphyrin is C1=C/C2=C/C3=N/C(=C\C4=N/C(=C(/c5ccccc5)C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3.
What is the InChIKey of 5-phenylporphyrin?
The InChIKey is GMXXDDABDSGVAF-LQIRNWTPSA-N. The full InChI is InChI=1S/C26H16N4/c1-2-4-17(5-3-1)26-24-12-10-22(29-24)15-20-8-6-18(27-20)14-19-7-9-21(28-19)16-23-11-13-25(26)30-23/h1-16H/b18-14-,19-14-,20-15-,21-16-,22-15-,23-16-,26-24-,26-25-.
What are the key properties of 5-phenylporphyrin?
5-phenylporphyrin has a molecular weight of 384.44 g/mol, XLogP of 5.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylporphyrin is sourced from PubChem (CID 69293681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).