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

C₅₁H₃₆N₄O — CID 135413910

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 Name: 7-(4-methoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
• PubChem CID: 135413910
• Molecular Formula: C₅₁H₃₆N₄O
• Molecular Weight: 720.88 g/mol
• Exact Mass: 720.29
• IUPAC Name: 7-(4-methoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
• SMILES: COc1ccc(C2=Cc3nc2c(-c2ccccc2)c2ccc([nH]2)c(-c2ccccc2)c2nc(c(-c4ccccc4)c4ccc([nH]4)c3-c3ccccc3)C=C2)cc1
• InChI: 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-
• InChIKey: WYVYHKKJFQHISQ-ROVQYOBGSA-N
• XLogP: 12.75
• TPSA: 66.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	720.88
LogP ≤ 5	12.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

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).

Sources

• PubChem CID 135413910 — identifiers, structure, computed properties (public domain)

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