2-(2,5-dimethoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin

C52H38N4O2 — CID 136712274

IUPAC2-(2,5-dimethoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
SMILESCOc1ccc(OC)c(-c2cc3[nH]c2c(-c2ccccc2)c2nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c3-c3ccccc3)C=C4)C=C2)c1
InChIInChI=1S/C52H38N4O2/c1-57-37-23-30-47(58-2)38(31-37)39-32-46-50(35-19-11-5-12-20-35)44-27-26-42(54-44)48(33-15-7-3-8-16-33)40-24-25-41(53-40)49(34-17-9-4-10-18-34)43-28-29-45(55-43)51(52(39)56-46)36-21-13-6-14-22-36/h3-32,53,56H,1-2H3/b48-40-,48-42-,49-41-,49-43-,50-44-,50-46-,51-45-,52-51-
InChIKeyYZKGNOKAJWIOGU-MUUCMCKSSA-N
MW750.90 g/mol
LogP13.01
Rot. Bonds7

About 2-(2,5-dimethoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin

2-(2,5-dimethoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin (PubChem CID 136712274) has the molecular formula C52H38N4O2 and a molecular weight of 750.90 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
PubChem CID136712274
Molecular FormulaC52H38N4O2
Molecular Weight750.90 g/mol
Exact Mass750.30
IUPAC Name2-(2,5-dimethoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
SMILESCOc1ccc(OC)c(-c2cc3[nH]c2c(-c2ccccc2)c2nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c3-c3ccccc3)C=C4)C=C2)c1
InChIInChI=1S/C52H38N4O2/c1-57-37-23-30-47(58-2)38(31-37)39-32-46-50(35-19-11-5-12-20-35)44-27-26-42(54-44)48(33-15-7-3-8-16-33)40-24-25-41(53-40)49(34-17-9-4-10-18-34)43-28-29-45(55-43)51(52(39)56-46)36-21-13-6-14-22-36/h3-32,53,56H,1-2H3/b48-40-,48-42-,49-41-,49-43-,50-44-,50-46-,51-45-,52-51-
InChIKeyYZKGNOKAJWIOGU-MUUCMCKSSA-N
XLogP13.01
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.90
LogP ≤ 513.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,10,15,20-tetraphenyl-2-[2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-21,23-dihydroporphyrin
CID 146020180
6-(2,5-dimethoxyphenyl)-15,20-diphenyl-25-oxa-24,26,27,28-tetrazahexacyclo[19.2.1.12,5.17,10.111,14.116,19]octacosa-1,3,5,7(27),8,10,12,14,16,18,20,22-dodecaene
CID 101051653
5-(2-methoxyphenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 136740277
2-[10-hexyl-20-(4-methoxyphenyl)-15-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 44519560
14,19,24-triphenyl-12,28,29,30-tetrazaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3,5,7,10,13(31),14,16,18(30),19,21,23,25(28),26-tetradecaen-9-one
CID 136677028
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
15-(4-methoxyphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin
CID 57355028
2-(4-bromophenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 154013194
15-(4-methoxyphenyl)-10,20-diphenyl-21,22-dihydroporphyrin
CID 10603098
2-methyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 10031928
iron;5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin
CID 175061750
10,15,20-tris(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin
CID 11585878

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin (CID 136712274) is 2-(2,5-dimethoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin is COc1ccc(OC)c(-c2cc3[nH]c2c(-c2ccccc2)c2nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c3-c3ccccc3)C=C4)C=C2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The InChIKey is YZKGNOKAJWIOGU-MUUCMCKSSA-N. The full InChI is InChI=1S/C52H38N4O2/c1-57-37-23-30-47(58-2)38(31-37)39-32-46-50(35-19-11-5-12-20-35)44-27-26-42(54-44)48(33-15-7-3-8-16-33)40-24-25-41(53-40)49(34-17-9-4-10-18-34)43-28-29-45(55-43)51(52(39)56-46)36-21-13-6-14-22-36/h3-32,53,56H,1-2H3/b48-40-,48-42-,49-41-,49-43-,50-44-,50-46-,51-45-,52-51-.
What are the key properties of 2-(2,5-dimethoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
2-(2,5-dimethoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin has a molecular weight of 750.90 g/mol, XLogP of 13.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin is sourced from PubChem (CID 136712274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).