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

C48H38N4O4 — CID 135471660

IUPAC5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin
SMILESCOc1ccccc1-c1c2nc(c(-c3ccccc3OC)c3ccc([nH]3)c(-c3ccccc3OC)c3nc(c(-c4ccccc4OC)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C48H38N4O4/c1-53-41-17-9-5-13-29(41)45-33-21-23-35(49-33)46(30-14-6-10-18-42(30)54-2)37-25-27-39(51-37)48(32-16-8-12-20-44(32)56-4)40-28-26-38(52-40)47(36-24-22-34(45)50-36)31-15-7-11-19-43(31)55-3/h5-28,49,52H,1-4H3/b45-33-,45-34-,46-35-,46-37-,47-36-,47-38-,48-39-,48-40-
InChIKeyLVIBHNALUZOXEO-XBWJNDOWSA-N
MW734.86 g/mol
LogP11.36
Rot. Bonds8

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

5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin (PubChem CID 135471660) has the molecular formula C48H38N4O4 and a molecular weight of 734.86 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin
PubChem CID135471660
Molecular FormulaC48H38N4O4
Molecular Weight734.86 g/mol
Exact Mass734.29
IUPAC Name5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin
SMILESCOc1ccccc1-c1c2nc(c(-c3ccccc3OC)c3ccc([nH]3)c(-c3ccccc3OC)c3nc(c(-c4ccccc4OC)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C48H38N4O4/c1-53-41-17-9-5-13-29(41)45-33-21-23-35(49-33)46(30-14-6-10-18-42(30)54-2)37-25-27-39(51-37)48(32-16-8-12-20-44(32)56-4)40-28-26-38(52-40)47(36-24-22-34(45)50-36)31-15-7-11-19-43(31)55-3/h5-28,49,52H,1-4H3/b45-33-,45-34-,46-35-,46-37-,47-36-,47-38-,48-39-,48-40-
InChIKeyLVIBHNALUZOXEO-XBWJNDOWSA-N
XLogP11.36
TPSA94.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.86
LogP ≤ 511.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin (CID 135471660) is 5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin is COc1ccccc1-c1c2nc(c(-c3ccccc3OC)c3ccc([nH]3)c(-c3ccccc3OC)c3nc(c(-c4ccccc4OC)c4ccc1[nH]4)C=C3)C=C2.
What is the InChIKey of 5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin?
The InChIKey is LVIBHNALUZOXEO-XBWJNDOWSA-N. The full InChI is InChI=1S/C48H38N4O4/c1-53-41-17-9-5-13-29(41)45-33-21-23-35(49-33)46(30-14-6-10-18-42(30)54-2)37-25-27-39(51-37)48(32-16-8-12-20-44(32)56-4)40-28-26-38(52-40)47(36-24-22-34(45)50-36)31-15-7-11-19-43(31)55-3/h5-28,49,52H,1-4H3/b45-33-,45-34-,46-35-,46-37-,47-36-,47-38-,48-39-,48-40-.
What are the key properties of 5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin?
5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin has a molecular weight of 734.86 g/mol, XLogP of 11.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin is sourced from PubChem (CID 135471660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).