5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin

C56H54N4O12 — CID 636353

IUPAC5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin
SMILESCOc1cc(-c2c3nc(c(-c4cc(OC)c(OC)c(OC)c4)c4ccc([nH]4)c(-c4cc(OC)c(OC)c(OC)c4)c4ccc([nH]4)c(-c4cc(OC)c(OC)c(OC)c4)c4nc2C=C4)C=C3)cc(OC)c1OC
InChIInChI=1S/C56H54N4O12/c1-61-41-21-29(22-42(62-2)53(41)69-9)49-33-13-15-35(57-33)50(30-23-43(63-3)54(70-10)44(24-30)64-4)37-17-19-39(59-37)52(32-27-47(67-7)56(72-12)48(28-32)68-8)40-20-18-38(60-40)51(36-16-14-34(49)58-36)31-25-45(65-5)55(71-11)46(26-31)66-6/h13-28,57-58H,1-12H3/b49-33-,49-34-,50-35-,50-37-,51-36-,51-38-,52-39-,52-40-
InChIKeyOFAUZMWMOCYDIN-ZNTHPLPZSA-N
MW975.06 g/mol
LogP11.43
Rot. Bonds16

About 5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin

5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin (PubChem CID 636353) has the molecular formula C56H54N4O12 and a molecular weight of 975.06 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin
PubChem CID636353
Molecular FormulaC56H54N4O12
Molecular Weight975.06 g/mol
Exact Mass974.37
IUPAC Name5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin
SMILESCOc1cc(-c2c3nc(c(-c4cc(OC)c(OC)c(OC)c4)c4ccc([nH]4)c(-c4cc(OC)c(OC)c(OC)c4)c4ccc([nH]4)c(-c4cc(OC)c(OC)c(OC)c4)c4nc2C=C4)C=C3)cc(OC)c1OC
InChIInChI=1S/C56H54N4O12/c1-61-41-21-29(22-42(62-2)53(41)69-9)49-33-13-15-35(57-33)50(30-23-43(63-3)54(70-10)44(24-30)64-4)37-17-19-39(59-37)52(32-27-47(67-7)56(72-12)48(28-32)68-8)40-20-18-38(60-40)51(36-16-14-34(49)58-36)31-25-45(65-5)55(71-11)46(26-31)66-6/h13-28,57-58H,1-12H3/b49-33-,49-34-,50-35-,50-37-,51-36-,51-38-,52-39-,52-40-
InChIKeyOFAUZMWMOCYDIN-ZNTHPLPZSA-N
XLogP11.43
TPSA168.12 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500975.06
LogP ≤ 511.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin with MolForge

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Related Compounds

5,10,15,20-Tetrakis(4-methoxyphenyl)porphyrin
CID 135404412
6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indole
CID 10202218
5,15-bis-(3-Methoxy-phenyl)-porphyrin
CID 135503060
5,15-Bis(4-methoxyphenyl)porphyrin
CID 135922930
5,15-Bis(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin
CID 11578252
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
5-methoxy-2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole
CID 122183352
5-(4-Methoxyphenyl)-15-phenylporphyrin
CID 135404821
5-(15-Phenyl-21,23-dihydroporphyrin-5-yl)benzene-1,2,3-triol
CID 135438379
5-(4-Methoxyphenyl)-15-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin
CID 135438406
5-(3-Methoxyphenyl)-15-phenyl-21,23-dihydroporphyrin
CID 135438562
5-(3-Methoxyphenyl)-15-(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin
CID 135466605

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin (CID 636353) is 5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin is COc1cc(-c2c3nc(c(-c4cc(OC)c(OC)c(OC)c4)c4ccc([nH]4)c(-c4cc(OC)c(OC)c(OC)c4)c4ccc([nH]4)c(-c4cc(OC)c(OC)c(OC)c4)c4nc2C=C4)C=C3)cc(OC)c1OC.
What is the InChIKey of 5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin?
The InChIKey is OFAUZMWMOCYDIN-ZNTHPLPZSA-N. The full InChI is InChI=1S/C56H54N4O12/c1-61-41-21-29(22-42(62-2)53(41)69-9)49-33-13-15-35(57-33)50(30-23-43(63-3)54(70-10)44(24-30)64-4)37-17-19-39(59-37)52(32-27-47(67-7)56(72-12)48(28-32)68-8)40-20-18-38(60-40)51(36-16-14-34(49)58-36)31-25-45(65-5)55(71-11)46(26-31)66-6/h13-28,57-58H,1-12H3/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(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin?
5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin has a molecular weight of 975.06 g/mol, XLogP of 11.43, 16 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin is sourced from PubChem (CID 636353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).