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

C53H40N4O — CID 135745728

IUPAC5,10,15,20-tetraphenyl-2-(2-propan-2-ylphenoxy)-21,23-dihydroporphyrin
SMILESCC(C)c1ccccc1Oc1cc2[nH]c1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c2-c2ccccc2)C=C3)C=C1
InChIInChI=1S/C53H40N4O/c1-34(2)39-25-15-16-26-47(39)58-48-33-46-51(37-21-11-5-12-22-37)44-30-29-42(55-44)49(35-17-7-3-8-18-35)40-27-28-41(54-40)50(36-19-9-4-10-20-36)43-31-32-45(56-43)52(53(48)57-46)38-23-13-6-14-24-38/h3-34,54,57H,1-2H3/b49-40-,49-42-,50-41-,50-43-,51-44-,51-46-,52-45-,53-52-
InChIKeyOYJPXXKMZDSQDO-VJZAWEMCSA-N
MW748.93 g/mol
LogP14.24
Rot. Bonds7

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

5,10,15,20-tetraphenyl-2-(2-propan-2-ylphenoxy)-21,23-dihydroporphyrin (PubChem CID 135745728) has the molecular formula C53H40N4O and a molecular weight of 748.93 g/mol. Its IUPAC name is 5,10,15,20-tetraphenyl-2-(2-propan-2-ylphenoxy)-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetraphenyl-2-(2-propan-2-ylphenoxy)-21,23-dihydroporphyrin
PubChem CID135745728
Molecular FormulaC53H40N4O
Molecular Weight748.93 g/mol
Exact Mass748.32
IUPAC Name5,10,15,20-tetraphenyl-2-(2-propan-2-ylphenoxy)-21,23-dihydroporphyrin
SMILESCC(C)c1ccccc1Oc1cc2[nH]c1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c2-c2ccccc2)C=C3)C=C1
InChIInChI=1S/C53H40N4O/c1-34(2)39-25-15-16-26-47(39)58-48-33-46-51(37-21-11-5-12-22-37)44-30-29-42(55-44)49(35-17-7-3-8-18-35)40-27-28-41(54-40)50(36-19-9-4-10-20-36)43-31-32-45(56-43)52(53(48)57-46)38-23-13-6-14-24-38/h3-34,54,57H,1-2H3/b49-40-,49-42-,50-41-,50-43-,51-44-,51-46-,52-45-,53-52-
InChIKeyOYJPXXKMZDSQDO-VJZAWEMCSA-N
XLogP14.24
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.93
LogP ≤ 514.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 10031928
CID 169095894
CID 169095894
5,10,15,20-tetraphenyl-2-[2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-21,23-dihydroporphyrin
CID 146020180
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
2-(2,5-dimethoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 136712274
5-(2-methoxyphenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 136740277
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
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
tetrakis(1-phenyl-4-propan-2-ylbenzene);ruthenium;5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin;octachloride
CID 135955737
2-(4-bromophenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 154013194
5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin
CID 135403354
boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 158544247

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetraphenyl-2-(2-propan-2-ylphenoxy)-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15,20-tetraphenyl-2-(2-propan-2-ylphenoxy)-21,23-dihydroporphyrin (CID 135745728) is 5,10,15,20-tetraphenyl-2-(2-propan-2-ylphenoxy)-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetraphenyl-2-(2-propan-2-ylphenoxy)-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15,20-tetraphenyl-2-(2-propan-2-ylphenoxy)-21,23-dihydroporphyrin is CC(C)c1ccccc1Oc1cc2[nH]c1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c2-c2ccccc2)C=C3)C=C1.
What is the InChIKey of 5,10,15,20-tetraphenyl-2-(2-propan-2-ylphenoxy)-21,23-dihydroporphyrin?
The InChIKey is OYJPXXKMZDSQDO-VJZAWEMCSA-N. The full InChI is InChI=1S/C53H40N4O/c1-34(2)39-25-15-16-26-47(39)58-48-33-46-51(37-21-11-5-12-22-37)44-30-29-42(55-44)49(35-17-7-3-8-18-35)40-27-28-41(54-40)50(36-19-9-4-10-20-36)43-31-32-45(56-43)52(53(48)57-46)38-23-13-6-14-24-38/h3-34,54,57H,1-2H3/b49-40-,49-42-,50-41-,50-43-,51-44-,51-46-,52-45-,53-52-.
What are the key properties of 5,10,15,20-tetraphenyl-2-(2-propan-2-ylphenoxy)-21,23-dihydroporphyrin?
5,10,15,20-tetraphenyl-2-(2-propan-2-ylphenoxy)-21,23-dihydroporphyrin has a molecular weight of 748.93 g/mol, XLogP of 14.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetraphenyl-2-(2-propan-2-ylphenoxy)-21,23-dihydroporphyrin is sourced from PubChem (CID 135745728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).