5-[4-(2-imidazol-1-ylethoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin

C49H36N6O — CID 136731907

IUPAC5-[4-(2-imidazol-1-ylethoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccc(OCCn4ccnc4)cc3)c3ccc([nH]3)c2-c2ccccc2)C=C1
InChIInChI=1S/C49H36N6O/c1-4-10-33(11-5-1)46-38-20-22-40(51-38)47(34-12-6-2-7-13-34)42-24-26-44(53-42)49(36-16-18-37(19-17-36)56-31-30-55-29-28-50-32-55)45-27-25-43(54-45)48(35-14-8-3-9-15-35)41-23-21-39(46)52-41/h1-29,32,51,54H,30-31H2/b46-38-,46-39-,47-40-,47-42-,48-41-,48-43-,49-44-,49-45-
InChIKeyASHGOHZMGPECGL-VUXQGAMNSA-N
MW724.87 g/mol
LogP11.60
Rot. Bonds8

About 5-[4-(2-imidazol-1-ylethoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin

5-[4-(2-imidazol-1-ylethoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin (PubChem CID 136731907) has the molecular formula C49H36N6O and a molecular weight of 724.87 g/mol. Its IUPAC name is 5-[4-(2-imidazol-1-ylethoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5-[4-(2-imidazol-1-ylethoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin
PubChem CID136731907
Molecular FormulaC49H36N6O
Molecular Weight724.87 g/mol
Exact Mass724.30
IUPAC Name5-[4-(2-imidazol-1-ylethoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccc(OCCn4ccnc4)cc3)c3ccc([nH]3)c2-c2ccccc2)C=C1
InChIInChI=1S/C49H36N6O/c1-4-10-33(11-5-1)46-38-20-22-40(51-38)47(34-12-6-2-7-13-34)42-24-26-44(53-42)49(36-16-18-37(19-17-36)56-31-30-55-29-28-50-32-55)45-27-25-43(54-45)48(35-14-8-3-9-15-35)41-23-21-39(46)52-41/h1-29,32,51,54H,30-31H2/b46-38-,46-39-,47-40-,47-42-,48-41-,48-43-,49-44-,49-45-
InChIKeyASHGOHZMGPECGL-VUXQGAMNSA-N
XLogP11.60
TPSA84.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.87
LogP ≤ 511.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[4-(2-imidazol-1-ylethoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin with MolForge

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Related Compounds

5-[3-(4-imidazol-1-ylbutoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 136695206
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
3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]propan-1-ol
CID 136693994
5-[4-[15-[4-(5-hydroxypentoxy)phenyl]-10,20-diphenyl-21,23-dihydroporphyrin-5-yl]phenoxy]pentan-1-ol
CID 136753079
5,10,15-tris(4-octoxyphenyl)-20-phenyl-21,23-dihydroporphyrin
CID 136819984
1-[8-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]octyl]pyrrolidine-2,5-dione
CID 136707596
5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[4-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]phenyl]-21,23-dihydroporphyrin
CID 100914019
2-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]ethanol
CID 137254418
5,10,15-triphenyl-20-(4-undec-10-enoxyphenyl)-21,23-dihydroporphyrin
CID 136883755
5,10,15-triphenyl-20-(4-prop-2-enoxyphenyl)-21,23-dihydroporphyrin
CID 136732211
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
5,10-bis(4-dodecoxyphenyl)-15,20-dipyridin-3-yl-21,23-dihydroporphyrin
CID 137187412

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-imidazol-1-ylethoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin?
The IUPAC name of 5-[4-(2-imidazol-1-ylethoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin (CID 136731907) is 5-[4-(2-imidazol-1-ylethoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin.
What is the SMILES notation for 5-[4-(2-imidazol-1-ylethoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin?
The canonical SMILES for 5-[4-(2-imidazol-1-ylethoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin is C1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccc(OCCn4ccnc4)cc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.
What is the InChIKey of 5-[4-(2-imidazol-1-ylethoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin?
The InChIKey is ASHGOHZMGPECGL-VUXQGAMNSA-N. The full InChI is InChI=1S/C49H36N6O/c1-4-10-33(11-5-1)46-38-20-22-40(51-38)47(34-12-6-2-7-13-34)42-24-26-44(53-42)49(36-16-18-37(19-17-36)56-31-30-55-29-28-50-32-55)45-27-25-43(54-45)48(35-14-8-3-9-15-35)41-23-21-39(46)52-41/h1-29,32,51,54H,30-31H2/b46-38-,46-39-,47-40-,47-42-,48-41-,48-43-,49-44-,49-45-.
What are the key properties of 5-[4-(2-imidazol-1-ylethoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin?
5-[4-(2-imidazol-1-ylethoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin has a molecular weight of 724.87 g/mol, XLogP of 11.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-imidazol-1-ylethoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin is sourced from PubChem (CID 136731907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).