5,10,15-triethyl-20-thiophen-3-yl-21,22-dihydroporphyrin

C30H28N4S — CID 177438322

IUPAC5,10,15-triethyl-20-thiophen-3-yl-21,22-dihydroporphyrin
SMILESCCc1c2nc(c(CC)c3ccc([nH]3)c(CC)c3ccc([nH]3)c(-c3ccsc3)c3nc1C=C3)C=C2
InChIInChI=1S/C30H28N4S/c1-4-19-22-7-9-24(31-22)20(5-2)26-11-13-28(33-26)30(18-15-16-35-17-18)29-14-12-27(34-29)21(6-3)25-10-8-23(19)32-25/h7-17,31,33H,4-6H2,1-3H3/b22-19-,23-19-,24-20-,25-21-,26-20-,27-21-,30-28-,30-29-
InChIKeyRAZOCXNHNUUOAV-SYDRDBPQSA-N
MW476.65 g/mol
LogP8.07
Rot. Bonds4

About 5,10,15-triethyl-20-thiophen-3-yl-21,22-dihydroporphyrin

5,10,15-triethyl-20-thiophen-3-yl-21,22-dihydroporphyrin (PubChem CID 177438322) has the molecular formula C30H28N4S and a molecular weight of 476.65 g/mol. Its IUPAC name is 5,10,15-triethyl-20-thiophen-3-yl-21,22-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15-triethyl-20-thiophen-3-yl-21,22-dihydroporphyrin
PubChem CID177438322
Molecular FormulaC30H28N4S
Molecular Weight476.65 g/mol
Exact Mass476.20
IUPAC Name5,10,15-triethyl-20-thiophen-3-yl-21,22-dihydroporphyrin
SMILESCCc1c2nc(c(CC)c3ccc([nH]3)c(CC)c3ccc([nH]3)c(-c3ccsc3)c3nc1C=C3)C=C2
InChIInChI=1S/C30H28N4S/c1-4-19-22-7-9-24(31-22)20(5-2)26-11-13-28(33-26)30(18-15-16-35-17-18)29-14-12-27(34-29)21(6-3)25-10-8-23(19)32-25/h7-17,31,33H,4-6H2,1-3H3/b22-19-,23-19-,24-20-,25-21-,26-20-,27-21-,30-28-,30-29-
InChIKeyRAZOCXNHNUUOAV-SYDRDBPQSA-N
XLogP8.07
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.65
LogP ≤ 58.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5,10,15,20-tetraethyl-21,22-dihydroporphyrin;vanadium
CID 159214384
5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
CID 102214852
CID 132917217
CID 132917217
platinum;4-[10,15,20-tris(4-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 159589008
nickel;5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin
CID 170920867
chromium(3+);5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin
CID 11239564
5,10,15,20-tetrakis(1-octylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin
CID 10191876
[4-[10-(4-ethylphenyl)-15,20-bis[4-[(trimethylazaniumyl)methyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methyl-trimethylazanium
CID 136825496
2-[4-[10,15,20-tris[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]-21,24-dihydroporphyrin-5-yl]pyridin-1-ium-1-yl]ethanol
CID 3378848
3-(15-hexyl-10,20-diphenyl-21,23-dihydroporphyrin-5-yl)phenol
CID 136798654
4-methyl-N-(4-methylphenyl)-N-[4-[10,15,20-tris[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline
CID 101169394
5,15-bis(4-ethynylphenyl)-10,20-dipentyl-21,22-dihydroporphyrin
CID 136754225

Frequently Asked Questions

What is the IUPAC name of 5,10,15-triethyl-20-thiophen-3-yl-21,22-dihydroporphyrin?
The IUPAC name of 5,10,15-triethyl-20-thiophen-3-yl-21,22-dihydroporphyrin (CID 177438322) is 5,10,15-triethyl-20-thiophen-3-yl-21,22-dihydroporphyrin.
What is the SMILES notation for 5,10,15-triethyl-20-thiophen-3-yl-21,22-dihydroporphyrin?
The canonical SMILES for 5,10,15-triethyl-20-thiophen-3-yl-21,22-dihydroporphyrin is CCc1c2nc(c(CC)c3ccc([nH]3)c(CC)c3ccc([nH]3)c(-c3ccsc3)c3nc1C=C3)C=C2.
What is the InChIKey of 5,10,15-triethyl-20-thiophen-3-yl-21,22-dihydroporphyrin?
The InChIKey is RAZOCXNHNUUOAV-SYDRDBPQSA-N. The full InChI is InChI=1S/C30H28N4S/c1-4-19-22-7-9-24(31-22)20(5-2)26-11-13-28(33-26)30(18-15-16-35-17-18)29-14-12-27(34-29)21(6-3)25-10-8-23(19)32-25/h7-17,31,33H,4-6H2,1-3H3/b22-19-,23-19-,24-20-,25-21-,26-20-,27-21-,30-28-,30-29-.
What are the key properties of 5,10,15-triethyl-20-thiophen-3-yl-21,22-dihydroporphyrin?
5,10,15-triethyl-20-thiophen-3-yl-21,22-dihydroporphyrin has a molecular weight of 476.65 g/mol, XLogP of 8.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15-triethyl-20-thiophen-3-yl-21,22-dihydroporphyrin is sourced from PubChem (CID 177438322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).