5,10,15,20-tetrakis[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]-21,23-dihydroporphyrin

C76H90N8O4 — CID 155803633

IUPAC5,10,15,20-tetrakis[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]-21,23-dihydroporphyrin
SMILESCC1CCCCN1CCOc1ccc(-c2c3nc(c(-c4ccc(OCCN5CCCCC5C)cc4)c4ccc([nH]4)c(-c4ccc(OCCN5CCCCC5C)cc4)c4nc(c(-c5ccc(OCCN6CCCCC6C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C76H90N8O4/c1-53-13-5-9-41-81(53)45-49-85-61-25-17-57(18-26-61)73-65-33-35-67(77-65)74(58-19-27-62(28-20-58)86-50-46-82-42-10-6-14-54(82)2)69-37-39-71(79-69)76(60-23-31-64(32-24-60)88-52-48-84-44-12-8-16-56(84)4)72-40-38-70(80-72)75(68-36-34-66(73)78-68)59-21-29-63(30-22-59)87-51-47-83-43-11-7-15-55(83)3/h17-40,53-56,77,80H,5-16,41-52H2,1-4H3/b73-65-,73-66-,74-67-,74-69-,75-68-,75-70-,76-71-,76-72-
InChIKeyKZIPYMHAQUSGOR-HTTNFVRMSA-N
MW1179.61 g/mol
LogP16.34
Rot. Bonds20

About 5,10,15,20-tetrakis[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]-21,23-dihydroporphyrin

5,10,15,20-tetrakis[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]-21,23-dihydroporphyrin (PubChem CID 155803633) has the molecular formula C76H90N8O4 and a molecular weight of 1179.61 g/mol. Its IUPAC name is 5,10,15,20-tetrakis[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]-21,23-dihydroporphyrin
PubChem CID155803633
Molecular FormulaC76H90N8O4
Molecular Weight1179.61 g/mol
Exact Mass1178.71
IUPAC Name5,10,15,20-tetrakis[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]-21,23-dihydroporphyrin
SMILESCC1CCCCN1CCOc1ccc(-c2c3nc(c(-c4ccc(OCCN5CCCCC5C)cc4)c4ccc([nH]4)c(-c4ccc(OCCN5CCCCC5C)cc4)c4nc(c(-c5ccc(OCCN6CCCCC6C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C76H90N8O4/c1-53-13-5-9-41-81(53)45-49-85-61-25-17-57(18-26-61)73-65-33-35-67(77-65)74(58-19-27-62(28-20-58)86-50-46-82-42-10-6-14-54(82)2)69-37-39-71(79-69)76(60-23-31-64(32-24-60)88-52-48-84-44-12-8-16-56(84)4)72-40-38-70(80-72)75(68-36-34-66(73)78-68)59-21-29-63(30-22-59)87-51-47-83-43-11-7-15-55(83)3/h17-40,53-56,77,80H,5-16,41-52H2,1-4H3/b73-65-,73-66-,74-67-,74-69-,75-68-,75-70-,76-71-,76-72-
InChIKeyKZIPYMHAQUSGOR-HTTNFVRMSA-N
XLogP16.34
TPSA107.24 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001179.61
LogP ≤ 516.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

(2R)-1-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperidine
CID 166625466
5,10,15,20-tetrakis(4-octoxyphenyl)-21,22-dihydroporphyrin
CID 11228608
2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 11948033
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-[2-(2-methylpiperidin-1-yl)ethoxy]benzaldehyde
CID 6504237
2-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine
CID 43253338
3-chloro-6-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]pyridazine
CID 143841531
4-[10,15,20-tris(4-octadecoxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid
CID 136916252
1-[8-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]octyl]pyrrolidine-2,5-dione
CID 136707596
methane;2-methyl-1-(5-phenoxypentyl)piperidine
CID 158922703
[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine
CID 43253349
tetrapotassium;4-[4-[10,15,20-tris[4-(3-carboxylatopropoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]butanoate
CID 136832974

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]-21,23-dihydroporphyrin (CID 155803633) is 5,10,15,20-tetrakis[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]-21,23-dihydroporphyrin is CC1CCCCN1CCOc1ccc(-c2c3nc(c(-c4ccc(OCCN5CCCCC5C)cc4)c4ccc([nH]4)c(-c4ccc(OCCN5CCCCC5C)cc4)c4nc(c(-c5ccc(OCCN6CCCCC6C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of 5,10,15,20-tetrakis[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]-21,23-dihydroporphyrin?
The InChIKey is KZIPYMHAQUSGOR-HTTNFVRMSA-N. The full InChI is InChI=1S/C76H90N8O4/c1-53-13-5-9-41-81(53)45-49-85-61-25-17-57(18-26-61)73-65-33-35-67(77-65)74(58-19-27-62(28-20-58)86-50-46-82-42-10-6-14-54(82)2)69-37-39-71(79-69)76(60-23-31-64(32-24-60)88-52-48-84-44-12-8-16-56(84)4)72-40-38-70(80-72)75(68-36-34-66(73)78-68)59-21-29-63(30-22-59)87-51-47-83-43-11-7-15-55(83)3/h17-40,53-56,77,80H,5-16,41-52H2,1-4H3/b73-65-,73-66-,74-67-,74-69-,75-68-,75-70-,76-71-,76-72-.
What are the key properties of 5,10,15,20-tetrakis[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]-21,23-dihydroporphyrin?
5,10,15,20-tetrakis[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]-21,23-dihydroporphyrin has a molecular weight of 1179.61 g/mol, XLogP of 16.34, 20 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]-21,23-dihydroporphyrin is sourced from PubChem (CID 155803633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).