7-(4-methoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin

C51H36N4O — CID 135413910

IUPAC7-(4-methoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
SMILESCOc1ccc(C2=Cc3nc2c(-c2ccccc2)c2ccc([nH]2)c(-c2ccccc2)c2nc(c(-c4ccccc4)c4ccc([nH]4)c3-c3ccccc3)C=C2)cc1
InChIInChI=1S/C51H36N4O/c1-56-38-24-22-33(23-25-38)39-32-46-49(36-18-10-4-11-19-36)44-29-28-42(53-44)47(34-14-6-2-7-15-34)40-26-27-41(52-40)48(35-16-8-3-9-17-35)43-30-31-45(54-43)50(51(39)55-46)37-20-12-5-13-21-37/h2-32,53-54H,1H3/b47-40-,47-42-,48-41-,48-43-,49-44-,49-46-,50-45-,51-50-
InChIKeyWYVYHKKJFQHISQ-ROVQYOBGSA-N
MW720.88 g/mol
LogP12.75
Rot. Bonds6

About 7-(4-methoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin

7-(4-methoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin (PubChem CID 135413910) has the molecular formula C51H36N4O and a molecular weight of 720.88 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
PubChem CID135413910
Molecular FormulaC51H36N4O
Molecular Weight720.88 g/mol
Exact Mass720.29
IUPAC Name7-(4-methoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
SMILESCOc1ccc(C2=Cc3nc2c(-c2ccccc2)c2ccc([nH]2)c(-c2ccccc2)c2nc(c(-c4ccccc4)c4ccc([nH]4)c3-c3ccccc3)C=C2)cc1
InChIInChI=1S/C51H36N4O/c1-56-38-24-22-33(23-25-38)39-32-46-49(36-18-10-4-11-19-36)44-29-28-42(53-44)47(34-14-6-2-7-15-34)40-26-27-41(52-40)48(35-16-8-3-9-17-35)43-30-31-45(54-43)50(51(39)55-46)37-20-12-5-13-21-37/h2-32,53-54H,1H3/b47-40-,47-42-,48-41-,48-43-,49-44-,49-46-,50-45-,51-50-
InChIKeyWYVYHKKJFQHISQ-ROVQYOBGSA-N
XLogP12.75
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.88
LogP ≤ 512.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The IUPAC name of 7-(4-methoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin (CID 135413910) is 7-(4-methoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin.
What is the SMILES notation for 7-(4-methoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The canonical SMILES for 7-(4-methoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin is COc1ccc(C2=Cc3nc2c(-c2ccccc2)c2ccc([nH]2)c(-c2ccccc2)c2nc(c(-c4ccccc4)c4ccc([nH]4)c3-c3ccccc3)C=C2)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The InChIKey is WYVYHKKJFQHISQ-ROVQYOBGSA-N. The full InChI is InChI=1S/C51H36N4O/c1-56-38-24-22-33(23-25-38)39-32-46-49(36-18-10-4-11-19-36)44-29-28-42(53-44)47(34-14-6-2-7-15-34)40-26-27-41(52-40)48(35-16-8-3-9-17-35)43-30-31-45(54-43)50(51(39)55-46)37-20-12-5-13-21-37/h2-32,53-54H,1H3/b47-40-,47-42-,48-41-,48-43-,49-44-,49-46-,50-45-,51-50-.
What are the key properties of 7-(4-methoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
7-(4-methoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin has a molecular weight of 720.88 g/mol, XLogP of 12.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin is sourced from PubChem (CID 135413910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).