5,10,15,20-tetrakis[4-(naphthalen-1-ylmethoxy)phenyl]-21,23-dihydroporphyrin

C88H62N4O4 — CID 101494518

IUPAC5,10,15,20-tetrakis[4-(naphthalen-1-ylmethoxy)phenyl]-21,23-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ccc(OCc3cccc4ccccc34)cc1)c1ccc([nH]1)c(-c1ccc(OCc3cccc4ccccc34)cc1)c1nc(c(-c3ccc(OCc4cccc5ccccc45)cc3)c3ccc([nH]3)c2-c2ccc(OCc3cccc4ccccc34)cc2)C=C1
InChIInChI=1S/C88H62N4O4/c1-5-25-73-57(13-1)17-9-21-65(73)53-93-69-37-29-61(30-38-69)85-77-45-47-79(89-77)86(62-31-39-70(40-32-62)94-54-66-22-10-18-58-14-2-6-26-74(58)66)81-49-51-83(91-81)88(64-35-43-72(44-36-64)96-56-68-24-12-20-60-16-4-8-28-76(60)68)84-52-50-82(92-84)87(80-48-46-78(85)90-80)63-33-41-71(42-34-63)95-55-67-23-11-19-59-15-3-7-27-75(59)67/h1-52,89,92H,53-56H2/b85-77-,85-78-,86-79-,86-81-,87-80-,87-82-,88-83-,88-84-
InChIKeyXSTSUSNSSYVHGE-NBDQVFEOSA-N
MW1239.49 g/mol
LogP22.25
Rot. Bonds16

About 5,10,15,20-tetrakis[4-(naphthalen-1-ylmethoxy)phenyl]-21,23-dihydroporphyrin

5,10,15,20-tetrakis[4-(naphthalen-1-ylmethoxy)phenyl]-21,23-dihydroporphyrin (PubChem CID 101494518) has the molecular formula C88H62N4O4 and a molecular weight of 1239.49 g/mol. Its IUPAC name is 5,10,15,20-tetrakis[4-(naphthalen-1-ylmethoxy)phenyl]-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis[4-(naphthalen-1-ylmethoxy)phenyl]-21,23-dihydroporphyrin
PubChem CID101494518
Molecular FormulaC88H62N4O4
Molecular Weight1239.49 g/mol
Exact Mass1238.48
IUPAC Name5,10,15,20-tetrakis[4-(naphthalen-1-ylmethoxy)phenyl]-21,23-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ccc(OCc3cccc4ccccc34)cc1)c1ccc([nH]1)c(-c1ccc(OCc3cccc4ccccc34)cc1)c1nc(c(-c3ccc(OCc4cccc5ccccc45)cc3)c3ccc([nH]3)c2-c2ccc(OCc3cccc4ccccc34)cc2)C=C1
InChIInChI=1S/C88H62N4O4/c1-5-25-73-57(13-1)17-9-21-65(73)53-93-69-37-29-61(30-38-69)85-77-45-47-79(89-77)86(62-31-39-70(40-32-62)94-54-66-22-10-18-58-14-2-6-26-74(58)66)81-49-51-83(91-81)88(64-35-43-72(44-36-64)96-56-68-24-12-20-60-16-4-8-28-76(60)68)84-52-50-82(92-84)87(80-48-46-78(85)90-80)63-33-41-71(42-34-63)95-55-67-23-11-19-59-15-3-7-27-75(59)67/h1-52,89,92H,53-56H2/b85-77-,85-78-,86-79-,86-81-,87-80-,87-82-,88-83-,88-84-
InChIKeyXSTSUSNSSYVHGE-NBDQVFEOSA-N
XLogP22.25
TPSA94.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001239.49
LogP ≤ 522.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
4-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]methyl]benzenethiol
CID 136912126
bis[4-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]methoxy]phenyl]diazene
CID 101391246
5,10,15-triphenyl-20-(4-prop-2-enoxyphenyl)-21,23-dihydroporphyrin
CID 136732211
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
5,10,15-tris(4-tert-butylphenyl)-20-[4-[4-[1-[2-[4-[4-[10,15,20-tris(4-tert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]butoxy]naphthalen-1-yl]naphthalen-2-yl]oxybutoxy]phenyl]-21,23-dihydroporphyrin
CID 132506460
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
1-(phenoxymethyl)naphthalene
CID 588110
2-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]ethanol
CID 137254418
ethyl 4-[4-(10,15,20-trinaphthalen-1-yl-21,23-dihydroporphyrin-5-yl)phenoxy]butanoate
CID 137254251

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis[4-(naphthalen-1-ylmethoxy)phenyl]-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis[4-(naphthalen-1-ylmethoxy)phenyl]-21,23-dihydroporphyrin (CID 101494518) is 5,10,15,20-tetrakis[4-(naphthalen-1-ylmethoxy)phenyl]-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis[4-(naphthalen-1-ylmethoxy)phenyl]-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis[4-(naphthalen-1-ylmethoxy)phenyl]-21,23-dihydroporphyrin is C1=Cc2nc1c(-c1ccc(OCc3cccc4ccccc34)cc1)c1ccc([nH]1)c(-c1ccc(OCc3cccc4ccccc34)cc1)c1nc(c(-c3ccc(OCc4cccc5ccccc45)cc3)c3ccc([nH]3)c2-c2ccc(OCc3cccc4ccccc34)cc2)C=C1.
What is the InChIKey of 5,10,15,20-tetrakis[4-(naphthalen-1-ylmethoxy)phenyl]-21,23-dihydroporphyrin?
The InChIKey is XSTSUSNSSYVHGE-NBDQVFEOSA-N. The full InChI is InChI=1S/C88H62N4O4/c1-5-25-73-57(13-1)17-9-21-65(73)53-93-69-37-29-61(30-38-69)85-77-45-47-79(89-77)86(62-31-39-70(40-32-62)94-54-66-22-10-18-58-14-2-6-26-74(58)66)81-49-51-83(91-81)88(64-35-43-72(44-36-64)96-56-68-24-12-20-60-16-4-8-28-76(60)68)84-52-50-82(92-84)87(80-48-46-78(85)90-80)63-33-41-71(42-34-63)95-55-67-23-11-19-59-15-3-7-27-75(59)67/h1-52,89,92H,53-56H2/b85-77-,85-78-,86-79-,86-81-,87-80-,87-82-,88-83-,88-84-.
What are the key properties of 5,10,15,20-tetrakis[4-(naphthalen-1-ylmethoxy)phenyl]-21,23-dihydroporphyrin?
5,10,15,20-tetrakis[4-(naphthalen-1-ylmethoxy)phenyl]-21,23-dihydroporphyrin has a molecular weight of 1239.49 g/mol, XLogP of 22.25, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis[4-(naphthalen-1-ylmethoxy)phenyl]-21,23-dihydroporphyrin is sourced from PubChem (CID 101494518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).