5-(4-fluoro-3-methylphenyl)-10-(4-methoxyphenyl)-15-(4-methylphenyl)-20-phenyl-21,23-dihydroporphyrin

C47H35FN4O — CID 135447688

IUPAC5-(4-fluoro-3-methylphenyl)-10-(4-methoxyphenyl)-15-(4-methylphenyl)-20-phenyl-21,23-dihydroporphyrin
SMILESCOc1ccc(-c2c3nc(c(-c4ccc(F)c(C)c4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C47H35FN4O/c1-28-9-11-31(12-10-28)45-38-20-19-36(49-38)44(30-7-5-4-6-8-30)37-23-25-42(51-37)47(33-15-18-35(48)29(2)27-33)43-26-24-41(52-43)46(40-22-21-39(45)50-40)32-13-16-34(53-3)17-14-32/h4-27,50-51H,1-3H3/b44-36-,44-37-,45-38-,45-39-,46-40-,46-41-,47-42-,47-43-
InChIKeyYPJQQUQXHMWACC-YPSDBIFCSA-N
MW690.82 g/mol
LogP12.09
Rot. Bonds5

About 5-(4-fluoro-3-methylphenyl)-10-(4-methoxyphenyl)-15-(4-methylphenyl)-20-phenyl-21,23-dihydroporphyrin

5-(4-fluoro-3-methylphenyl)-10-(4-methoxyphenyl)-15-(4-methylphenyl)-20-phenyl-21,23-dihydroporphyrin (PubChem CID 135447688) has the molecular formula C47H35FN4O and a molecular weight of 690.82 g/mol. Its IUPAC name is 5-(4-fluoro-3-methylphenyl)-10-(4-methoxyphenyl)-15-(4-methylphenyl)-20-phenyl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5-(4-fluoro-3-methylphenyl)-10-(4-methoxyphenyl)-15-(4-methylphenyl)-20-phenyl-21,23-dihydroporphyrin
PubChem CID135447688
Molecular FormulaC47H35FN4O
Molecular Weight690.82 g/mol
Exact Mass690.28
IUPAC Name5-(4-fluoro-3-methylphenyl)-10-(4-methoxyphenyl)-15-(4-methylphenyl)-20-phenyl-21,23-dihydroporphyrin
SMILESCOc1ccc(-c2c3nc(c(-c4ccc(F)c(C)c4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C47H35FN4O/c1-28-9-11-31(12-10-28)45-38-20-19-36(49-38)44(30-7-5-4-6-8-30)37-23-25-42(51-37)47(33-15-18-35(48)29(2)27-33)43-26-24-41(52-43)46(40-22-21-39(45)50-40)32-13-16-34(53-3)17-14-32/h4-27,50-51H,1-3H3/b44-36-,44-37-,45-38-,45-39-,46-40-,46-41-,47-42-,47-43-
InChIKeyYPJQQUQXHMWACC-YPSDBIFCSA-N
XLogP12.09
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.82
LogP ≤ 512.09
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-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin
CID 135778239
15-(4-methoxyphenyl)-10,20-diphenyl-21,22-dihydroporphyrin
CID 10603098
5-(4-methoxyphenyl)-10,15,20-trimethyl-21,22-dihydroporphyrin
CID 102450798
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
10,15,20-tris(4-methylphenyl)-5-[3-(2-phenylethynyl)phenyl]-21,22-dihydroporphyrin
CID 10350158
5,10,15-tris(3,5-ditert-butylphenyl)-20-(4-methoxyphenyl)-21,23-dihydroporphyrin
CID 136729112
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
nickel;5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin
CID 170920867
2-[10-hexyl-20-(4-methoxyphenyl)-15-[5,10,15,20-tetrakis(4-methylphenyl)-21,23-dihydroporphyrin-2-yl]-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 44519396
5,10,15-triphenyl-20-[6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenanthren-3-yl]-21,23-dihydroporphyrin
CID 101030343

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methylphenyl)-10-(4-methoxyphenyl)-15-(4-methylphenyl)-20-phenyl-21,23-dihydroporphyrin?
The IUPAC name of 5-(4-fluoro-3-methylphenyl)-10-(4-methoxyphenyl)-15-(4-methylphenyl)-20-phenyl-21,23-dihydroporphyrin (CID 135447688) is 5-(4-fluoro-3-methylphenyl)-10-(4-methoxyphenyl)-15-(4-methylphenyl)-20-phenyl-21,23-dihydroporphyrin.
What is the SMILES notation for 5-(4-fluoro-3-methylphenyl)-10-(4-methoxyphenyl)-15-(4-methylphenyl)-20-phenyl-21,23-dihydroporphyrin?
The canonical SMILES for 5-(4-fluoro-3-methylphenyl)-10-(4-methoxyphenyl)-15-(4-methylphenyl)-20-phenyl-21,23-dihydroporphyrin is COc1ccc(-c2c3nc(c(-c4ccc(F)c(C)c4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of 5-(4-fluoro-3-methylphenyl)-10-(4-methoxyphenyl)-15-(4-methylphenyl)-20-phenyl-21,23-dihydroporphyrin?
The InChIKey is YPJQQUQXHMWACC-YPSDBIFCSA-N. The full InChI is InChI=1S/C47H35FN4O/c1-28-9-11-31(12-10-28)45-38-20-19-36(49-38)44(30-7-5-4-6-8-30)37-23-25-42(51-37)47(33-15-18-35(48)29(2)27-33)43-26-24-41(52-43)46(40-22-21-39(45)50-40)32-13-16-34(53-3)17-14-32/h4-27,50-51H,1-3H3/b44-36-,44-37-,45-38-,45-39-,46-40-,46-41-,47-42-,47-43-.
What are the key properties of 5-(4-fluoro-3-methylphenyl)-10-(4-methoxyphenyl)-15-(4-methylphenyl)-20-phenyl-21,23-dihydroporphyrin?
5-(4-fluoro-3-methylphenyl)-10-(4-methoxyphenyl)-15-(4-methylphenyl)-20-phenyl-21,23-dihydroporphyrin has a molecular weight of 690.82 g/mol, XLogP of 12.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methylphenyl)-10-(4-methoxyphenyl)-15-(4-methylphenyl)-20-phenyl-21,23-dihydroporphyrin is sourced from PubChem (CID 135447688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).