1,4,21,23-tetrahydroporphyrin

C20H16N4 — CID 57084381

IUPAC1,4,21,23-tetrahydroporphyrin
SMILESC1=CC2=NC1=CC1C=CC(C=C3C=CC(=N3)C=c3ccc([nH]3)=C2)N1
InChIInChI=1S/C20H16N4/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/h1-14,21,24H
InChIKeyKUOZVJWNLHXSAA-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.28
Rot. Bonds

About 1,4,21,23-tetrahydroporphyrin

1,4,21,23-tetrahydroporphyrin (PubChem CID 57084381) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is 1,4,21,23-tetrahydroporphyrin.

Molecular Properties

Compound Name1,4,21,23-tetrahydroporphyrin
PubChem CID57084381
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC Name1,4,21,23-tetrahydroporphyrin
SMILESC1=CC2=NC1=CC1C=CC(C=C3C=CC(=N3)C=c3ccc([nH]3)=C2)N1
InChIInChI=1S/C20H16N4/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/h1-14,21,24H
InChIKeyKUOZVJWNLHXSAA-UHFFFAOYSA-N
XLogP1.28
TPSA52.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4,21,23-tetrahydroporphyrin?
The IUPAC name of 1,4,21,23-tetrahydroporphyrin (CID 57084381) is 1,4,21,23-tetrahydroporphyrin.
What is the SMILES notation for 1,4,21,23-tetrahydroporphyrin?
The canonical SMILES for 1,4,21,23-tetrahydroporphyrin is C1=CC2=NC1=CC1C=CC(C=C3C=CC(=N3)C=c3ccc([nH]3)=C2)N1.
What is the InChIKey of 1,4,21,23-tetrahydroporphyrin?
The InChIKey is KUOZVJWNLHXSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4/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/h1-14,21,24H.
What are the key properties of 1,4,21,23-tetrahydroporphyrin?
1,4,21,23-tetrahydroporphyrin has a molecular weight of 312.38 g/mol, XLogP of 1.28, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,21,23-tetrahydroporphyrin is sourced from PubChem (CID 57084381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).