mercury;21,22,23,24-tetrahydroporphyrin

C20H16HgN4 — CID 158242676

IUPACmercury;21,22,23,24-tetrahydroporphyrin
SMILESC1=c2ccc([nH]2)=Cc2ccc([nH]2)C=c2ccc([nH]2)=Cc2ccc1[nH]2.[Hg]
InChIInChI=1S/C20H16N4.Hg/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;/h1-12,21-24H;
InChIKeyFALSIMVYGCWCAA-UHFFFAOYSA-N
MW512.97 g/mol
LogP0.63
Rot. Bonds

About mercury;21,22,23,24-tetrahydroporphyrin

mercury;21,22,23,24-tetrahydroporphyrin (PubChem CID 158242676) has the molecular formula C20H16HgN4 and a molecular weight of 512.97 g/mol. Its IUPAC name is mercury;21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Namemercury;21,22,23,24-tetrahydroporphyrin
PubChem CID158242676
Molecular FormulaC20H16HgN4
Molecular Weight512.97 g/mol
Exact Mass514.11
IUPAC Namemercury;21,22,23,24-tetrahydroporphyrin
SMILESC1=c2ccc([nH]2)=Cc2ccc([nH]2)C=c2ccc([nH]2)=Cc2ccc1[nH]2.[Hg]
InChIInChI=1S/C20H16N4.Hg/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;/h1-12,21-24H;
InChIKeyFALSIMVYGCWCAA-UHFFFAOYSA-N
XLogP0.63
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.97
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze mercury;21,22,23,24-tetrahydroporphyrin with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,8,11,28,32,33,34,36-octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-2,4,6,9,12,14,16,18,20,22,24,26,29-tridecaene
CID 10299153
21,22,23,24-tetrahydroporphyrin-2-carbaldehyde
CID 90848871
2-ethynyl-21,22,23,24-tetrahydroporphyrin;zinc
CID 159211349
2-(21,22,23,24-tetrahydroporphyrin-5-ylmethylidene)propanedioic acid
CID 90700882
5,10-bis(1H-imidazol-2-yl)-21,22,23,24-tetrahydroporphyrin
CID 91447595
5,21-dihydroxy-23,24-dihydro-22H-porphyrin-2,3-dione;gold
CID 174692128
(5Z,9Z)-4,21,22,23-tetrahydro-3H-corrin
CID 163561716
(1Z,9Z,13Z,19Z)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaene
CID 139592499
1-[(5Z,9Z,15Z)-4-(1-hydroxyethyl)-23,24-dihydro-22H-porphyrin-2-yl]ethanol
CID 173403372
31,32,33,34-tetrazaoctacyclo[20.6.2.13,20.15,8.110,13.115,18.02,21.023,28]tetratriaconta-2(21),3,5,7,9,11,13,15,17,19,23,25,27-tridecaen-29-one
CID 91331119
21-methyl-22,23-dihydroporphyrin-2-one
CID 174825894
5,10,15-tris(1-methylpyridin-1-ium-4-yl)-21,22,23,24-tetrahydroporphyrin
CID 91607020

Frequently Asked Questions

What is the IUPAC name of mercury;21,22,23,24-tetrahydroporphyrin?
The IUPAC name of mercury;21,22,23,24-tetrahydroporphyrin (CID 158242676) is mercury;21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for mercury;21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for mercury;21,22,23,24-tetrahydroporphyrin is C1=c2ccc([nH]2)=Cc2ccc([nH]2)C=c2ccc([nH]2)=Cc2ccc1[nH]2.[Hg].
What is the InChIKey of mercury;21,22,23,24-tetrahydroporphyrin?
The InChIKey is FALSIMVYGCWCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4.Hg/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;/h1-12,21-24H;.
What are the key properties of mercury;21,22,23,24-tetrahydroporphyrin?
mercury;21,22,23,24-tetrahydroporphyrin has a molecular weight of 512.97 g/mol, XLogP of 0.63, 0 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for mercury;21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 158242676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).