5,10,15,20-tetrakis(3,4-dimethoxyphenyl)-21,23-dihydroporphyrin

C52H46N4O8 — CID 135403277

IUPAC5,10,15,20-tetrakis(3,4-dimethoxyphenyl)-21,23-dihydroporphyrin
SMILESCOc1ccc(-c2c3nc(c(-c4ccc(OC)c(OC)c4)c4ccc([nH]4)c(-c4ccc(OC)c(OC)c4)c4nc(c(-c5ccc(OC)c(OC)c5)c5ccc2[nH]5)C=C4)C=C3)cc1OC
InChIInChI=1S/C52H46N4O8/c1-57-41-21-9-29(25-45(41)61-5)49-33-13-15-35(53-33)50(30-10-22-42(58-2)46(26-30)62-6)37-17-19-39(55-37)52(32-12-24-44(60-4)48(28-32)64-8)40-20-18-38(56-40)51(36-16-14-34(49)54-36)31-11-23-43(59-3)47(27-31)63-7/h9-28,53,56H,1-8H3/b49-33-,49-34-,50-35-,50-37-,51-36-,51-38-,52-39-,52-40-
InChIKeyYANDMGSAMLTJFY-ZNTHPLPZSA-N
MW854.96 g/mol
LogP11.39
Rot. Bonds12

About 5,10,15,20-tetrakis(3,4-dimethoxyphenyl)-21,23-dihydroporphyrin

5,10,15,20-tetrakis(3,4-dimethoxyphenyl)-21,23-dihydroporphyrin (PubChem CID 135403277) has the molecular formula C52H46N4O8 and a molecular weight of 854.96 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(3,4-dimethoxyphenyl)-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis(3,4-dimethoxyphenyl)-21,23-dihydroporphyrin
PubChem CID135403277
Molecular FormulaC52H46N4O8
Molecular Weight854.96 g/mol
Exact Mass854.33
IUPAC Name5,10,15,20-tetrakis(3,4-dimethoxyphenyl)-21,23-dihydroporphyrin
SMILESCOc1ccc(-c2c3nc(c(-c4ccc(OC)c(OC)c4)c4ccc([nH]4)c(-c4ccc(OC)c(OC)c4)c4nc(c(-c5ccc(OC)c(OC)c5)c5ccc2[nH]5)C=C4)C=C3)cc1OC
InChIInChI=1S/C52H46N4O8/c1-57-41-21-9-29(25-45(41)61-5)49-33-13-15-35(53-33)50(30-10-22-42(58-2)46(26-30)62-6)37-17-19-39(55-37)52(32-12-24-44(60-4)48(28-32)64-8)40-20-18-38(56-40)51(36-16-14-34(49)54-36)31-11-23-43(59-3)47(27-31)63-7/h9-28,53,56H,1-8H3/b49-33-,49-34-,50-35-,50-37-,51-36-,51-38-,52-39-,52-40-
InChIKeyYANDMGSAMLTJFY-ZNTHPLPZSA-N
XLogP11.39
TPSA131.20 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.96
LogP ≤ 511.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5,10,15,20-tetrakis(3,4-dimethoxyphenyl)-21,23-dihydroporphyrin with MolForge

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Related Compounds

Temoporfin
CID 60751
Exeporfinium chloride
CID 135456185
5,10,15,20-Tetrakis(4-methoxyphenyl)porphyrin
CID 135404412
3-[10,15,20-Tris(3-hydroxyphenyl)-21,24-dihydroporphyrin-5-yl]phenol
CID 122877
5,10,15,20-Tetrakis(4-hydroxyphenyl)porphyrin
CID 135438030
3-(10,15,20-Triphenylporphyrin-5-yl)phenol
CID 135481457
5,15-bis-(3-Methoxy-phenyl)-porphyrin
CID 135503060
5,15-Bis(4-methoxyphenyl)porphyrin
CID 135922930
2-[2,3,5,6-Tetrafluoro-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-(2-hydroxyethoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethanol
CID 135960762
5,15-Bis(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin
CID 11578252
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[[3-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]methyl]-5-[15-methoxy-2,2,12,12-tetramethyl-8,18-bis(4-methylphenyl)-3,13,22,24-tetrahydroporphyrin-5-yl]phenyl]methyl]ethanamine
CID 16741516
2-[3-[12-[3,5-Bis(2-hydroxyethoxy)phenyl]-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2-yl]-5-(2-hydroxyethoxy)phenoxy]ethanol
CID 46888620

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(3,4-dimethoxyphenyl)-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis(3,4-dimethoxyphenyl)-21,23-dihydroporphyrin (CID 135403277) is 5,10,15,20-tetrakis(3,4-dimethoxyphenyl)-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis(3,4-dimethoxyphenyl)-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis(3,4-dimethoxyphenyl)-21,23-dihydroporphyrin is COc1ccc(-c2c3nc(c(-c4ccc(OC)c(OC)c4)c4ccc([nH]4)c(-c4ccc(OC)c(OC)c4)c4nc(c(-c5ccc(OC)c(OC)c5)c5ccc2[nH]5)C=C4)C=C3)cc1OC.
What is the InChIKey of 5,10,15,20-tetrakis(3,4-dimethoxyphenyl)-21,23-dihydroporphyrin?
The InChIKey is YANDMGSAMLTJFY-ZNTHPLPZSA-N. The full InChI is InChI=1S/C52H46N4O8/c1-57-41-21-9-29(25-45(41)61-5)49-33-13-15-35(53-33)50(30-10-22-42(58-2)46(26-30)62-6)37-17-19-39(55-37)52(32-12-24-44(60-4)48(28-32)64-8)40-20-18-38(56-40)51(36-16-14-34(49)54-36)31-11-23-43(59-3)47(27-31)63-7/h9-28,53,56H,1-8H3/b49-33-,49-34-,50-35-,50-37-,51-36-,51-38-,52-39-,52-40-.
What are the key properties of 5,10,15,20-tetrakis(3,4-dimethoxyphenyl)-21,23-dihydroporphyrin?
5,10,15,20-tetrakis(3,4-dimethoxyphenyl)-21,23-dihydroporphyrin has a molecular weight of 854.96 g/mol, XLogP of 11.39, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis(3,4-dimethoxyphenyl)-21,23-dihydroporphyrin is sourced from PubChem (CID 135403277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).