(5Z,10Z,14Z,19Z)-1,4,21,23-tetrahydroporphyrin

C20H16N4 — CID 23644548

IUPAC(5Z,10Z,14Z,19Z)-1,4,21,23-tetrahydroporphyrin
SMILESC1=C/C2=C/C3C=CC(/C=C4/C=CC(=N4)/C=c4/cc/c([nH]4)=C/C1=N2)N3
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/b15-9-,16-10-,19-11-,20-12-
InChIKeyKUOZVJWNLHXSAA-DBLYXWCISA-N
MW312.38 g/mol
LogP1.28
Rot. Bonds

About (5Z,10Z,14Z,19Z)-1,4,21,23-tetrahydroporphyrin

(5Z,10Z,14Z,19Z)-1,4,21,23-tetrahydroporphyrin (PubChem CID 23644548) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is (5Z,10Z,14Z,19Z)-1,4,21,23-tetrahydroporphyrin.

Molecular Properties

Compound Name(5Z,10Z,14Z,19Z)-1,4,21,23-tetrahydroporphyrin
PubChem CID23644548
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC Name(5Z,10Z,14Z,19Z)-1,4,21,23-tetrahydroporphyrin
SMILESC1=C/C2=C/C3C=CC(/C=C4/C=CC(=N4)/C=c4/cc/c([nH]4)=C/C1=N2)N3
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/b15-9-,16-10-,19-11-,20-12-
InChIKeyKUOZVJWNLHXSAA-DBLYXWCISA-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 (5Z,10Z,14Z,19Z)-1,4,21,23-tetrahydroporphyrin?
The IUPAC name of (5Z,10Z,14Z,19Z)-1,4,21,23-tetrahydroporphyrin (CID 23644548) is (5Z,10Z,14Z,19Z)-1,4,21,23-tetrahydroporphyrin.
What is the SMILES notation for (5Z,10Z,14Z,19Z)-1,4,21,23-tetrahydroporphyrin?
The canonical SMILES for (5Z,10Z,14Z,19Z)-1,4,21,23-tetrahydroporphyrin is C1=C/C2=C/C3C=CC(/C=C4/C=CC(=N4)/C=c4/cc/c([nH]4)=C/C1=N2)N3.
What is the InChIKey of (5Z,10Z,14Z,19Z)-1,4,21,23-tetrahydroporphyrin?
The InChIKey is KUOZVJWNLHXSAA-DBLYXWCISA-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/b15-9-,16-10-,19-11-,20-12-.
What are the key properties of (5Z,10Z,14Z,19Z)-1,4,21,23-tetrahydroporphyrin?
(5Z,10Z,14Z,19Z)-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 (5Z,10Z,14Z,19Z)-1,4,21,23-tetrahydroporphyrin is sourced from PubChem (CID 23644548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).