magnesium (5Z,9Z,15Z,19Z)-1,2,3,4-tetrahydroporphyrin-21,22,23,24-tetraide

C20H16MgN4-2 — CID 139592489

IUPACmagnesium (5Z,9Z,15Z,19Z)-1,2,3,4-tetrahydroporphyrin-21,22,23,24-tetraide
SMILESC1=c2/cc/c([n-]2)=C/C2CCC(/C=c3/cc/c([n-]3)=C/c3ccc/1[n-]3)[N-]2.[Mg+2]
InChIInChI=1S/C20H16N4.Mg/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;/h1-6,9-12,19-20H,7-8H2;/q-4;+2/b15-9-,16-10-,17-11-,18-12-;
InChIKeyCRGDBRXPYHTTTK-GVUGVOEESA-N
MW336.68 g/mol
LogP-0.69
Rot. Bonds

About magnesium (5Z,9Z,15Z,19Z)-1,2,3,4-tetrahydroporphyrin-21,22,23,24-tetraide

magnesium (5Z,9Z,15Z,19Z)-1,2,3,4-tetrahydroporphyrin-21,22,23,24-tetraide (PubChem CID 139592489) has the molecular formula C20H16MgN4-2 and a molecular weight of 336.68 g/mol. Its IUPAC name is magnesium (5Z,9Z,15Z,19Z)-1,2,3,4-tetrahydroporphyrin-21,22,23,24-tetraide.

Molecular Properties

Compound Namemagnesium (5Z,9Z,15Z,19Z)-1,2,3,4-tetrahydroporphyrin-21,22,23,24-tetraide
PubChem CID139592489
Molecular FormulaC20H16MgN4-2
Molecular Weight336.68 g/mol
Exact Mass336.12
IUPAC Namemagnesium (5Z,9Z,15Z,19Z)-1,2,3,4-tetrahydroporphyrin-21,22,23,24-tetraide
SMILESC1=c2/cc/c([n-]2)=C/C2CCC(/C=c3/cc/c([n-]3)=C/c3ccc/1[n-]3)[N-]2.[Mg+2]
InChIInChI=1S/C20H16N4.Mg/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;/h1-6,9-12,19-20H,7-8H2;/q-4;+2/b15-9-,16-10-,17-11-,18-12-;
InChIKeyCRGDBRXPYHTTTK-GVUGVOEESA-N
XLogP-0.69
TPSA56.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.68
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of magnesium (5Z,9Z,15Z,19Z)-1,2,3,4-tetrahydroporphyrin-21,22,23,24-tetraide?
The IUPAC name of magnesium (5Z,9Z,15Z,19Z)-1,2,3,4-tetrahydroporphyrin-21,22,23,24-tetraide (CID 139592489) is magnesium (5Z,9Z,15Z,19Z)-1,2,3,4-tetrahydroporphyrin-21,22,23,24-tetraide.
What is the SMILES notation for magnesium (5Z,9Z,15Z,19Z)-1,2,3,4-tetrahydroporphyrin-21,22,23,24-tetraide?
The canonical SMILES for magnesium (5Z,9Z,15Z,19Z)-1,2,3,4-tetrahydroporphyrin-21,22,23,24-tetraide is C1=c2/cc/c([n-]2)=C/C2CCC(/C=c3/cc/c([n-]3)=C/c3ccc/1[n-]3)[N-]2.[Mg+2].
What is the InChIKey of magnesium (5Z,9Z,15Z,19Z)-1,2,3,4-tetrahydroporphyrin-21,22,23,24-tetraide?
The InChIKey is CRGDBRXPYHTTTK-GVUGVOEESA-N. The full InChI is InChI=1S/C20H16N4.Mg/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;/h1-6,9-12,19-20H,7-8H2;/q-4;+2/b15-9-,16-10-,17-11-,18-12-;.
What are the key properties of magnesium (5Z,9Z,15Z,19Z)-1,2,3,4-tetrahydroporphyrin-21,22,23,24-tetraide?
magnesium (5Z,9Z,15Z,19Z)-1,2,3,4-tetrahydroporphyrin-21,22,23,24-tetraide has a molecular weight of 336.68 g/mol, XLogP of -0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium (5Z,9Z,15Z,19Z)-1,2,3,4-tetrahydroporphyrin-21,22,23,24-tetraide is sourced from PubChem (CID 139592489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).