15-(4-methoxyphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin

C47H36N4O — CID 57355028

IUPAC15-(4-methoxyphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin
SMILESCOc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccccc4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4nc2C=C4)C=C3)cc1
InChIInChI=1S/C47H36N4O/c1-29-9-13-32(14-10-29)45-38-23-21-36(48-38)44(31-7-5-4-6-8-31)37-22-24-39(49-37)46(33-15-11-30(2)12-16-33)41-26-28-43(51-41)47(42-27-25-40(45)50-42)34-17-19-35(52-3)20-18-34/h4-28,48-49H,1-3H3/b44-36-,44-37-,45-38-,45-40-,46-39-,46-41-,47-42-,47-43-
InChIKeyYHNXCVCNFOKUTL-ZQANTMHOSA-N
MW672.83 g/mol
LogP11.95
Rot. Bonds5

About 15-(4-methoxyphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin

15-(4-methoxyphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin (PubChem CID 57355028) has the molecular formula C47H36N4O and a molecular weight of 672.83 g/mol. Its IUPAC name is 15-(4-methoxyphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin.

Molecular Properties

Compound Name15-(4-methoxyphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin
PubChem CID57355028
Molecular FormulaC47H36N4O
Molecular Weight672.83 g/mol
Exact Mass672.29
IUPAC Name15-(4-methoxyphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin
SMILESCOc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccccc4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4nc2C=C4)C=C3)cc1
InChIInChI=1S/C47H36N4O/c1-29-9-13-32(14-10-29)45-38-23-21-36(48-38)44(31-7-5-4-6-8-31)37-22-24-39(49-37)46(33-15-11-30(2)12-16-33)41-26-28-43(51-41)47(42-27-25-40(45)50-42)34-17-19-35(52-3)20-18-34/h4-28,48-49H,1-3H3/b44-36-,44-37-,45-38-,45-40-,46-39-,46-41-,47-42-,47-43-
InChIKeyYHNXCVCNFOKUTL-ZQANTMHOSA-N
XLogP11.95
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.83
LogP ≤ 511.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 15-(4-methoxyphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin with MolForge

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Related Compounds

5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin
CID 135778239
5-(4-fluoro-3-methylphenyl)-10-(4-methoxyphenyl)-15-(4-methylphenyl)-20-phenyl-21,23-dihydroporphyrin
CID 135447688
15-(4-methoxyphenyl)-10,20-diphenyl-21,22-dihydroporphyrin
CID 10603098
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
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
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
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
iron;4-[10,15,20-tris(4-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 175729519
10,15,20-tris(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin
CID 11585878
5,10,15-triphenyl-20-[4-[6-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]hexoxy]phenyl]-21,23-dihydroporphyrin
CID 101169177
5-N,15-N-bis(4-methylphenyl)-10,20-diphenyl-21,23-dihydroporphyrin-5,15-diamine
CID 135909432

Frequently Asked Questions

What is the IUPAC name of 15-(4-methoxyphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin?
The IUPAC name of 15-(4-methoxyphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin (CID 57355028) is 15-(4-methoxyphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin.
What is the SMILES notation for 15-(4-methoxyphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin?
The canonical SMILES for 15-(4-methoxyphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin is COc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccccc4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4nc2C=C4)C=C3)cc1.
What is the InChIKey of 15-(4-methoxyphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin?
The InChIKey is YHNXCVCNFOKUTL-ZQANTMHOSA-N. The full InChI is InChI=1S/C47H36N4O/c1-29-9-13-32(14-10-29)45-38-23-21-36(48-38)44(31-7-5-4-6-8-31)37-22-24-39(49-37)46(33-15-11-30(2)12-16-33)41-26-28-43(51-41)47(42-27-25-40(45)50-42)34-17-19-35(52-3)20-18-34/h4-28,48-49H,1-3H3/b44-36-,44-37-,45-38-,45-40-,46-39-,46-41-,47-42-,47-43-.
What are the key properties of 15-(4-methoxyphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin?
15-(4-methoxyphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin has a molecular weight of 672.83 g/mol, XLogP of 11.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(4-methoxyphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin is sourced from PubChem (CID 57355028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).