Magnesium,[2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphinato(2-)-N21,N22,N23,N24]-(SP-4-1)-

C36H44MgN4 — CID 6327391

IUPAC—
SMILESCCC1=C2/C=C3\N=C(/C=C4\[N]/C(=C\C5=N/C(=C\C(=C1CC)[N]2)C(CC)=C5CC)C(CC)=C4CC)C(CC)=C3CC.[Mg]
InChIInChI=1S/C36H44N4.Mg/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;/h17-20H,9-16H2,1-8H3;/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;
InChIKeyCNFQCFRYAAADBB-XTPDIVBZSA-N
MW557.08 g/mol
LogP8.98
Rot. Bonds8

About Magnesium,[2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphinato(2-)-N21,N22,N23,N24]-(SP-4-1)-

Magnesium,[2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphinato(2-)-N21,N22,N23,N24]-(SP-4-1)- (PubChem CID 6327391) has the molecular formula C36H44MgN4 and a molecular weight of 557.08 g/mol.

Molecular Properties

Compound NameMagnesium,[2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphinato(2-)-N21,N22,N23,N24]-(SP-4-1)-
PubChem CID6327391
Molecular FormulaC36H44MgN4
Molecular Weight557.08 g/mol
Exact Mass556.34
IUPAC Name—
SMILESCCC1=C2/C=C3\N=C(/C=C4\[N]/C(=C\C5=N/C(=C\C(=C1CC)[N]2)C(CC)=C5CC)C(CC)=C4CC)C(CC)=C3CC.[Mg]
InChIInChI=1S/C36H44N4.Mg/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;/h17-20H,9-16H2,1-8H3;/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;
InChIKeyCNFQCFRYAAADBB-XTPDIVBZSA-N
XLogP8.98
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.08
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze Magnesium,[2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphinato(2-)-N21,N22,N23,N24]-(SP-4-1)- with MolForge

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Related Compounds

(2S)-2,7,8,12,13,17,18-heptaethyl-21H-porphyrin-2,3-diol
CID 137271343
5-chloro-3,3,7,8,12,13,17,18-octaethyl-21H-porphyrin-2-ol
CID 137271346
2,18-bis(3-bromopropyl)-7,12-diethyl-3,8,13,17-tetramethylporphyrin
CID 67673633
3-(2,3,7,8,12,13,17,18-octaethyl-23H-porphyrin-5-ylidene)prop-1-en-1-ol
CID 135539177
2,7,8,12,13,17,18-heptaethyl-3-methyl-1,23-dihydroporphyrin
CID 161120870
CID 53388707
CID 53388707
copper;2,3,5,7,8,10,12,13-octaethylporphyrin
CID 66663117
2-ethyl-3-methylporphyrin
CID 67743305
CID 25149864
CID 25149864
N-methyl-1-(2,3,7,8,12,13,17,18-octaethyl-3,24-dihydro-2H-porphyrin-5-ylidene)methanamine
CID 636120
(4Z,10Z,15Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1H-porphyrin-21,22,24-triide;palladium
CID 59413512
11,16-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13(25),14,16,18(24),19,21-dodecaene
CID 163125285

Frequently Asked Questions

What is the IUPAC name of Magnesium,[2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphinato(2-)-N21,N22,N23,N24]-(SP-4-1)-?
The IUPAC name of Magnesium,[2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphinato(2-)-N21,N22,N23,N24]-(SP-4-1)- (CID 6327391) is not available.
What is the SMILES notation for Magnesium,[2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphinato(2-)-N21,N22,N23,N24]-(SP-4-1)-?
The canonical SMILES for Magnesium,[2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphinato(2-)-N21,N22,N23,N24]-(SP-4-1)- is CCC1=C2/C=C3\N=C(/C=C4\[N]/C(=C\C5=N/C(=C\C(=C1CC)[N]2)C(CC)=C5CC)C(CC)=C4CC)C(CC)=C3CC.[Mg].
What is the InChIKey of Magnesium,[2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphinato(2-)-N21,N22,N23,N24]-(SP-4-1)-?
The InChIKey is CNFQCFRYAAADBB-XTPDIVBZSA-N. The full InChI is InChI=1S/C36H44N4.Mg/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;/h17-20H,9-16H2,1-8H3;/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;.
What are the key properties of Magnesium,[2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphinato(2-)-N21,N22,N23,N24]-(SP-4-1)-?
Magnesium,[2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphinato(2-)-N21,N22,N23,N24]-(SP-4-1)- has a molecular weight of 557.08 g/mol, XLogP of 8.98, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Magnesium,[2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphinato(2-)-N21,N22,N23,N24]-(SP-4-1)- is sourced from PubChem (CID 6327391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).