2,3,5,7-tetramethylporphyrin

C24H20N4 — CID 68718997

IUPAC2,3,5,7-tetramethylporphyrin
SMILESCC1=C/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C(/C)C1=N2)C(C)=C5C)C=C4)C=C3
InChIInChI=1S/C24H20N4/c1-13-9-21-11-19-6-5-17(25-19)10-18-7-8-20(26-18)12-22-14(2)15(3)24(28-22)16(4)23(13)27-21/h5-12H,1-4H3/b17-10-,18-10-,19-11-,20-12-,21-11-,22-12-,23-16-,24-16-
InChIKeyUUTUHBMYMLXHJJ-WGIJGKSOSA-N
MW364.45 g/mol
LogP5.14
Rot. Bonds

About 2,3,5,7-tetramethylporphyrin

2,3,5,7-tetramethylporphyrin (PubChem CID 68718997) has the molecular formula C24H20N4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2,3,5,7-tetramethylporphyrin.

Molecular Properties

Compound Name2,3,5,7-tetramethylporphyrin
PubChem CID68718997
Molecular FormulaC24H20N4
Molecular Weight364.45 g/mol
Exact Mass364.17
IUPAC Name2,3,5,7-tetramethylporphyrin
SMILESCC1=C/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C(/C)C1=N2)C(C)=C5C)C=C4)C=C3
InChIInChI=1S/C24H20N4/c1-13-9-21-11-19-6-5-17(25-19)10-18-7-8-20(26-18)12-22-14(2)15(3)24(28-22)16(4)23(13)27-21/h5-12H,1-4H3/b17-10-,18-10-,19-11-,20-12-,21-11-,22-12-,23-16-,24-16-
InChIKeyUUTUHBMYMLXHJJ-WGIJGKSOSA-N
XLogP5.14
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 519828
CID 519828
Porphyrin-ring
CID 5481287
2,3,5,7,8,10,12,13-Octaethyl-15-fluoroporphyrin
CID 67705172
2,3,5,7-Tetrakis(trifluoromethyl)porphyrin
CID 88234321
2,3-Bis(trifluoromethyl)porphyrin
CID 88305130
5,15-Bis(trifluoromethyl)porphyrin
CID 88305618
Iron;2,3,5,7-tetrakis(trifluoromethyl)porphyrin
CID 88496418
4-Methyl-2-(4-methylcyclopenta[b]pyridin-2-ylidene)cyclopenta[b]pyridine
CID 11250719
2,8,12,18-Tetraethyl-3,7,13,17-tetramethylporphyrin
CID 5380079
2,7,12,17-Tetraethyl-3,8,13,18-tetramethylporphyrin
CID 5380089
2,7,12,18-Tetraethyl-3,8,13,17-tetramethylporphyrin
CID 5463301
Bis(2-ethylcyclopenta[b]pyrrole);zirconium(2+);dichloride
CID 17855735

Frequently Asked Questions

What is the IUPAC name of 2,3,5,7-tetramethylporphyrin?
The IUPAC name of 2,3,5,7-tetramethylporphyrin (CID 68718997) is 2,3,5,7-tetramethylporphyrin.
What is the SMILES notation for 2,3,5,7-tetramethylporphyrin?
The canonical SMILES for 2,3,5,7-tetramethylporphyrin is CC1=C/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C(/C)C1=N2)C(C)=C5C)C=C4)C=C3.
What is the InChIKey of 2,3,5,7-tetramethylporphyrin?
The InChIKey is UUTUHBMYMLXHJJ-WGIJGKSOSA-N. The full InChI is InChI=1S/C24H20N4/c1-13-9-21-11-19-6-5-17(25-19)10-18-7-8-20(26-18)12-22-14(2)15(3)24(28-22)16(4)23(13)27-21/h5-12H,1-4H3/b17-10-,18-10-,19-11-,20-12-,21-11-,22-12-,23-16-,24-16-.
What are the key properties of 2,3,5,7-tetramethylporphyrin?
2,3,5,7-tetramethylporphyrin has a molecular weight of 364.45 g/mol, XLogP of 5.14, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,7-tetramethylporphyrin is sourced from PubChem (CID 68718997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).