5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin

C48H38N4O — CID 135778239

IUPAC5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin
SMILESCOc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C48H38N4O/c1-29-5-11-32(12-6-29)45-37-21-23-39(49-37)46(33-13-7-30(2)8-14-33)41-25-27-43(51-41)48(35-17-19-36(53-4)20-18-35)44-28-26-42(52-44)47(40-24-22-38(45)50-40)34-15-9-31(3)10-16-34/h5-28,49,52H,1-4H3/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-
InChIKeyZHBHTSGGDUYOJG-PJEPRTEXSA-N
MW686.86 g/mol
LogP12.26
Rot. Bonds5

About 5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin

5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin (PubChem CID 135778239) has the molecular formula C48H38N4O and a molecular weight of 686.86 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin
PubChem CID135778239
Molecular FormulaC48H38N4O
Molecular Weight686.86 g/mol
Exact Mass686.30
IUPAC Name5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin
SMILESCOc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C48H38N4O/c1-29-5-11-32(12-6-29)45-37-21-23-39(49-37)46(33-13-7-30(2)8-14-33)41-25-27-43(51-41)48(35-17-19-36(53-4)20-18-35)44-28-26-42(52-44)47(40-24-22-38(45)50-40)34-15-9-31(3)10-16-34/h5-28,49,52H,1-4H3/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-
InChIKeyZHBHTSGGDUYOJG-PJEPRTEXSA-N
XLogP12.26
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.86
LogP ≤ 512.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

15-(4-methoxyphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin
CID 57355028
5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
CID 102214852
iron;4-[10,15,20-tris(4-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 175729519
5-(4-methoxyphenyl)-10,15,20-trimethyl-21,22-dihydroporphyrin
CID 102450798
nickel;5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin
CID 170920867
5-(4-isothiocyanatophenyl)-10,15,20-tris(4-methoxyphenyl)-21,23-dihydroporphyrin
CID 136748465
5,10,15-tris(3,5-ditert-butylphenyl)-20-(4-methoxyphenyl)-21,23-dihydroporphyrin
CID 136729112
5-(4-fluoro-3-methylphenyl)-10-(4-methoxyphenyl)-15-(4-methylphenyl)-20-phenyl-21,23-dihydroporphyrin
CID 135447688
10,15,20-tris(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin
CID 11585878
4-[20-(4-methoxyphenyl)-10,15-bis(4-sulfonatophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonate
CID 136803851
5-methoxy-2-[10,15,20-tris(4-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 136703562
5,15-bis(4-methoxyphenyl)-10,20-bis(4-nitrophenyl)-21,23-dihydroporphyrin
CID 135496782

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin?
The IUPAC name of 5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin (CID 135778239) is 5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin.
What is the SMILES notation for 5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin?
The canonical SMILES for 5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin is COc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin?
The InChIKey is ZHBHTSGGDUYOJG-PJEPRTEXSA-N. The full InChI is InChI=1S/C48H38N4O/c1-29-5-11-32(12-6-29)45-37-21-23-39(49-37)46(33-13-7-30(2)8-14-33)41-25-27-43(51-41)48(35-17-19-36(53-4)20-18-35)44-28-26-42(52-44)47(40-24-22-38(45)50-40)34-15-9-31(3)10-16-34/h5-28,49,52H,1-4H3/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-.
What are the key properties of 5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin?
5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin has a molecular weight of 686.86 g/mol, XLogP of 12.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin is sourced from PubChem (CID 135778239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).