5-methoxy-2-[10,15,20-tris(4-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol

C48H38N4O5 — CID 136703562

IUPAC5-methoxy-2-[10,15,20-tris(4-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
SMILESCOc1ccc(-c2c3nc(c(-c4ccc(OC)cc4)c4ccc([nH]4)c(-c4ccc(OC)cc4O)c4nc(c(-c5ccc(OC)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C48H38N4O5/c1-54-31-11-5-28(6-12-31)45-36-19-21-38(49-36)46(29-7-13-32(55-2)14-8-29)40-23-25-42(51-40)48(35-18-17-34(57-4)27-44(35)53)43-26-24-41(52-43)47(39-22-20-37(45)50-39)30-9-15-33(56-3)16-10-30/h5-27,49,52-53H,1-4H3/b45-36-,45-37-,46-38-,46-40-,47-39-,47-41-,48-42-,48-43-
InChIKeySTDMKUWRJRXAHA-BRNXAVTDSA-N
MW750.86 g/mol
LogP11.06
Rot. Bonds8

About 5-methoxy-2-[10,15,20-tris(4-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol

5-methoxy-2-[10,15,20-tris(4-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol (PubChem CID 136703562) has the molecular formula C48H38N4O5 and a molecular weight of 750.86 g/mol. Its IUPAC name is 5-methoxy-2-[10,15,20-tris(4-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[10,15,20-tris(4-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
PubChem CID136703562
Molecular FormulaC48H38N4O5
Molecular Weight750.86 g/mol
Exact Mass750.28
IUPAC Name5-methoxy-2-[10,15,20-tris(4-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
SMILESCOc1ccc(-c2c3nc(c(-c4ccc(OC)cc4)c4ccc([nH]4)c(-c4ccc(OC)cc4O)c4nc(c(-c5ccc(OC)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C48H38N4O5/c1-54-31-11-5-28(6-12-31)45-36-19-21-38(49-36)46(29-7-13-32(55-2)14-8-29)40-23-25-42(51-40)48(35-18-17-34(57-4)27-44(35)53)43-26-24-41(52-43)47(39-22-20-37(45)50-39)30-9-15-33(56-3)16-10-30/h5-27,49,52-53H,1-4H3/b45-36-,45-37-,46-38-,46-40-,47-39-,47-41-,48-42-,48-43-
InChIKeySTDMKUWRJRXAHA-BRNXAVTDSA-N
XLogP11.06
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.86
LogP ≤ 511.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

iron;4-[10,15,20-tris(4-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 175729519
5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin
CID 135778239
5,10,15-tris(3,5-ditert-butylphenyl)-20-(4-methoxyphenyl)-21,23-dihydroporphyrin
CID 136729112
10,15,20-tris(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin
CID 11585878
5,15-bis(4-methoxyphenyl)-10,20-bis(4-nitrophenyl)-21,23-dihydroporphyrin
CID 135496782
5-(4-methoxyphenyl)-10,15,20-trimethyl-21,22-dihydroporphyrin
CID 102450798
15-(4-methoxyphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin
CID 57355028
platinum;4-[10,15,20-tris(4-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 159589008
4-[20-(4-methoxyphenyl)-10,15-bis(4-sulfonatophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonate
CID 136803851
15-(4-methoxyphenyl)-10,20-diphenyl-21,22-dihydroporphyrin
CID 10603098
5-(4-isothiocyanatophenyl)-10,15,20-tris(4-methoxyphenyl)-21,23-dihydroporphyrin
CID 136748465
5-[10,15-bis(3,5-dihydroxyphenyl)-23,24-dihydro-22H-corrin-5-yl]benzene-1,3-diol
CID 136714961

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[10,15,20-tris(4-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol?
The IUPAC name of 5-methoxy-2-[10,15,20-tris(4-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol (CID 136703562) is 5-methoxy-2-[10,15,20-tris(4-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol.
What is the SMILES notation for 5-methoxy-2-[10,15,20-tris(4-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol?
The canonical SMILES for 5-methoxy-2-[10,15,20-tris(4-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol is COc1ccc(-c2c3nc(c(-c4ccc(OC)cc4)c4ccc([nH]4)c(-c4ccc(OC)cc4O)c4nc(c(-c5ccc(OC)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of 5-methoxy-2-[10,15,20-tris(4-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol?
The InChIKey is STDMKUWRJRXAHA-BRNXAVTDSA-N. The full InChI is InChI=1S/C48H38N4O5/c1-54-31-11-5-28(6-12-31)45-36-19-21-38(49-36)46(29-7-13-32(55-2)14-8-29)40-23-25-42(51-40)48(35-18-17-34(57-4)27-44(35)53)43-26-24-41(52-43)47(39-22-20-37(45)50-39)30-9-15-33(56-3)16-10-30/h5-27,49,52-53H,1-4H3/b45-36-,45-37-,46-38-,46-40-,47-39-,47-41-,48-42-,48-43-.
What are the key properties of 5-methoxy-2-[10,15,20-tris(4-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol?
5-methoxy-2-[10,15,20-tris(4-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol has a molecular weight of 750.86 g/mol, XLogP of 11.06, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[10,15,20-tris(4-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol is sourced from PubChem (CID 136703562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).