5,10,15,20-tetrakis(2,4-dimethoxyphenyl)-21,23-dihydroporphyrin

C52H46N4O8 — CID 135542236

IUPAC5,10,15,20-tetrakis(2,4-dimethoxyphenyl)-21,23-dihydroporphyrin
SMILESCOc1ccc(-c2c3nc(c(-c4ccc(OC)cc4OC)c4ccc([nH]4)c(-c4ccc(OC)cc4OC)c4nc(c(-c5ccc(OC)cc5OC)c5ccc2[nH]5)C=C4)C=C3)c(OC)c1
InChIInChI=1S/C52H46N4O8/c1-57-29-9-13-33(45(25-29)61-5)49-37-17-19-39(53-37)50(34-14-10-30(58-2)26-46(34)62-6)41-21-23-43(55-41)52(36-16-12-32(60-4)28-48(36)64-8)44-24-22-42(56-44)51(40-20-18-38(49)54-40)35-15-11-31(59-3)27-47(35)63-7/h9-28,53,56H,1-8H3/b49-37-,49-38-,50-39-,50-41-,51-40-,51-42-,52-43-,52-44-
InChIKeyFKNWRTVLTBKEHX-QURNHSOUSA-N
MW854.96 g/mol
LogP11.39
Rot. Bonds12

About 5,10,15,20-tetrakis(2,4-dimethoxyphenyl)-21,23-dihydroporphyrin

5,10,15,20-tetrakis(2,4-dimethoxyphenyl)-21,23-dihydroporphyrin (PubChem CID 135542236) has the molecular formula C52H46N4O8 and a molecular weight of 854.96 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(2,4-dimethoxyphenyl)-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis(2,4-dimethoxyphenyl)-21,23-dihydroporphyrin
PubChem CID135542236
Molecular FormulaC52H46N4O8
Molecular Weight854.96 g/mol
Exact Mass854.33
IUPAC Name5,10,15,20-tetrakis(2,4-dimethoxyphenyl)-21,23-dihydroporphyrin
SMILESCOc1ccc(-c2c3nc(c(-c4ccc(OC)cc4OC)c4ccc([nH]4)c(-c4ccc(OC)cc4OC)c4nc(c(-c5ccc(OC)cc5OC)c5ccc2[nH]5)C=C4)C=C3)c(OC)c1
InChIInChI=1S/C52H46N4O8/c1-57-29-9-13-33(45(25-29)61-5)49-37-17-19-39(53-37)50(34-14-10-30(58-2)26-46(34)62-6)41-21-23-43(55-41)52(36-16-12-32(60-4)28-48(36)64-8)44-24-22-42(56-44)51(40-20-18-38(49)54-40)35-15-11-31(59-3)27-47(35)63-7/h9-28,53,56H,1-8H3/b49-37-,49-38-,50-39-,50-41-,51-40-,51-42-,52-43-,52-44-
InChIKeyFKNWRTVLTBKEHX-QURNHSOUSA-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

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Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(2,4-dimethoxyphenyl)-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis(2,4-dimethoxyphenyl)-21,23-dihydroporphyrin (CID 135542236) is 5,10,15,20-tetrakis(2,4-dimethoxyphenyl)-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis(2,4-dimethoxyphenyl)-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis(2,4-dimethoxyphenyl)-21,23-dihydroporphyrin is COc1ccc(-c2c3nc(c(-c4ccc(OC)cc4OC)c4ccc([nH]4)c(-c4ccc(OC)cc4OC)c4nc(c(-c5ccc(OC)cc5OC)c5ccc2[nH]5)C=C4)C=C3)c(OC)c1.
What is the InChIKey of 5,10,15,20-tetrakis(2,4-dimethoxyphenyl)-21,23-dihydroporphyrin?
The InChIKey is FKNWRTVLTBKEHX-QURNHSOUSA-N. The full InChI is InChI=1S/C52H46N4O8/c1-57-29-9-13-33(45(25-29)61-5)49-37-17-19-39(53-37)50(34-14-10-30(58-2)26-46(34)62-6)41-21-23-43(55-41)52(36-16-12-32(60-4)28-48(36)64-8)44-24-22-42(56-44)51(40-20-18-38(49)54-40)35-15-11-31(59-3)27-47(35)63-7/h9-28,53,56H,1-8H3/b49-37-,49-38-,50-39-,50-41-,51-40-,51-42-,52-43-,52-44-.
What are the key properties of 5,10,15,20-tetrakis(2,4-dimethoxyphenyl)-21,23-dihydroporphyrin?
5,10,15,20-tetrakis(2,4-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(2,4-dimethoxyphenyl)-21,23-dihydroporphyrin is sourced from PubChem (CID 135542236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).