zinc 4-[2-[4-[10,15,20-tris[4-(2-morpholin-4-ylethoxy)phenyl]porphyrin-21,22-diid-5-yl]phenoxy]ethyl]morpholine

C68H72N8O8Zn — CID 6535449

IUPACzinc 4-[2-[4-[10,15,20-tris[4-(2-morpholin-4-ylethoxy)phenyl]porphyrin-21,22-diid-5-yl]phenoxy]ethyl]morpholine
SMILESC1=Cc2nc1c(-c1ccc(OCCN3CCOCC3)cc1)c1nc(c(-c3ccc(OCCN4CCOCC4)cc3)c3ccc([n-]3)c(-c3ccc(OCCN4CCOCC4)cc3)c3ccc([n-]3)c2-c2ccc(OCCN3CCOCC3)cc2)C=C1.[Zn+2]
InChIInChI=1S/C68H72N8O8.Zn/c1-9-53(81-45-33-73-25-37-77-38-26-73)10-2-49(1)65-57-17-19-59(69-57)66(50-3-11-54(12-4-50)82-46-34-74-27-39-78-40-28-74)61-21-23-63(71-61)68(52-7-15-56(16-8-52)84-48-36-76-31-43-80-44-32-76)64-24-22-62(72-64)67(60-20-18-58(65)70-60)51-5-13-55(14-6-51)83-47-35-75-29-41-79-42-30-75;/h1-24H,25-48H2;/q-2;+2/b65-57-,65-58-,66-59-,66-61-,67-60-,67-62-,68-63-,68-64-;
InChIKeyNAHBFECRSRCNIC-GIZPQBOTSA-N
MW1194.76 g/mol
LogP9.42
Rot. Bonds20

About zinc 4-[2-[4-[10,15,20-tris[4-(2-morpholin-4-ylethoxy)phenyl]porphyrin-21,22-diid-5-yl]phenoxy]ethyl]morpholine

zinc 4-[2-[4-[10,15,20-tris[4-(2-morpholin-4-ylethoxy)phenyl]porphyrin-21,22-diid-5-yl]phenoxy]ethyl]morpholine (PubChem CID 6535449) has the molecular formula C68H72N8O8Zn and a molecular weight of 1194.76 g/mol. Its IUPAC name is zinc 4-[2-[4-[10,15,20-tris[4-(2-morpholin-4-ylethoxy)phenyl]porphyrin-21,22-diid-5-yl]phenoxy]ethyl]morpholine.

Molecular Properties

Compound Namezinc 4-[2-[4-[10,15,20-tris[4-(2-morpholin-4-ylethoxy)phenyl]porphyrin-21,22-diid-5-yl]phenoxy]ethyl]morpholine
PubChem CID6535449
Molecular FormulaC68H72N8O8Zn
Molecular Weight1194.76 g/mol
Exact Mass1192.48
IUPAC Namezinc 4-[2-[4-[10,15,20-tris[4-(2-morpholin-4-ylethoxy)phenyl]porphyrin-21,22-diid-5-yl]phenoxy]ethyl]morpholine
SMILESC1=Cc2nc1c(-c1ccc(OCCN3CCOCC3)cc1)c1nc(c(-c3ccc(OCCN4CCOCC4)cc3)c3ccc([n-]3)c(-c3ccc(OCCN4CCOCC4)cc3)c3ccc([n-]3)c2-c2ccc(OCCN3CCOCC3)cc2)C=C1.[Zn+2]
InChIInChI=1S/C68H72N8O8.Zn/c1-9-53(81-45-33-73-25-37-77-38-26-73)10-2-49(1)65-57-17-19-59(69-57)66(50-3-11-54(12-4-50)82-46-34-74-27-39-78-40-28-74)61-21-23-63(71-61)68(52-7-15-56(16-8-52)84-48-36-76-31-43-80-44-32-76)64-24-22-62(72-64)67(60-20-18-58(65)70-60)51-5-13-55(14-6-51)83-47-35-75-29-41-79-42-30-75;/h1-24H,25-48H2;/q-2;+2/b65-57-,65-58-,66-59-,66-61-,67-60-,67-62-,68-63-,68-64-;
InChIKeyNAHBFECRSRCNIC-GIZPQBOTSA-N
XLogP9.42
TPSA140.78 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001194.76
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

zinc 4-[2-[4-[10,15,20-tris[4-(2-morpholin-4-ylethoxy)phenyl]porphyrin-22,24-diid-5-yl]phenoxy]ethyl]morpholine
CID 5155492
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
4-[2-[4-(2-chloropyrimidin-4-yl)phenoxy]ethyl]morpholine
CID 58930607
4-[2-[4-(6-ethyl-3-pyridinyl)phenoxy]ethyl]morpholine
CID 59845977
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
CID 89422137
4-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]ethyl]morpholine
CID 82248212
4-[2-(4-ethynylphenoxy)ethyl]morpholine
CID 58608139
3-N-[3,5-dichloro-4-[4-(2-morpholin-4-ylethoxy)phenyl]phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 118632524
3-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid
CID 139651729
4-[2-[4-(3-fluoro-4-methylphenyl)phenoxy]ethyl]morpholine
CID 123641546
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845

Frequently Asked Questions

What is the IUPAC name of zinc 4-[2-[4-[10,15,20-tris[4-(2-morpholin-4-ylethoxy)phenyl]porphyrin-21,22-diid-5-yl]phenoxy]ethyl]morpholine?
The IUPAC name of zinc 4-[2-[4-[10,15,20-tris[4-(2-morpholin-4-ylethoxy)phenyl]porphyrin-21,22-diid-5-yl]phenoxy]ethyl]morpholine (CID 6535449) is zinc 4-[2-[4-[10,15,20-tris[4-(2-morpholin-4-ylethoxy)phenyl]porphyrin-21,22-diid-5-yl]phenoxy]ethyl]morpholine.
What is the SMILES notation for zinc 4-[2-[4-[10,15,20-tris[4-(2-morpholin-4-ylethoxy)phenyl]porphyrin-21,22-diid-5-yl]phenoxy]ethyl]morpholine?
The canonical SMILES for zinc 4-[2-[4-[10,15,20-tris[4-(2-morpholin-4-ylethoxy)phenyl]porphyrin-21,22-diid-5-yl]phenoxy]ethyl]morpholine is C1=Cc2nc1c(-c1ccc(OCCN3CCOCC3)cc1)c1nc(c(-c3ccc(OCCN4CCOCC4)cc3)c3ccc([n-]3)c(-c3ccc(OCCN4CCOCC4)cc3)c3ccc([n-]3)c2-c2ccc(OCCN3CCOCC3)cc2)C=C1.[Zn+2].
What is the InChIKey of zinc 4-[2-[4-[10,15,20-tris[4-(2-morpholin-4-ylethoxy)phenyl]porphyrin-21,22-diid-5-yl]phenoxy]ethyl]morpholine?
The InChIKey is NAHBFECRSRCNIC-GIZPQBOTSA-N. The full InChI is InChI=1S/C68H72N8O8.Zn/c1-9-53(81-45-33-73-25-37-77-38-26-73)10-2-49(1)65-57-17-19-59(69-57)66(50-3-11-54(12-4-50)82-46-34-74-27-39-78-40-28-74)61-21-23-63(71-61)68(52-7-15-56(16-8-52)84-48-36-76-31-43-80-44-32-76)64-24-22-62(72-64)67(60-20-18-58(65)70-60)51-5-13-55(14-6-51)83-47-35-75-29-41-79-42-30-75;/h1-24H,25-48H2;/q-2;+2/b65-57-,65-58-,66-59-,66-61-,67-60-,67-62-,68-63-,68-64-;.
What are the key properties of zinc 4-[2-[4-[10,15,20-tris[4-(2-morpholin-4-ylethoxy)phenyl]porphyrin-21,22-diid-5-yl]phenoxy]ethyl]morpholine?
zinc 4-[2-[4-[10,15,20-tris[4-(2-morpholin-4-ylethoxy)phenyl]porphyrin-21,22-diid-5-yl]phenoxy]ethyl]morpholine has a molecular weight of 1194.76 g/mol, XLogP of 9.42, 20 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 4-[2-[4-[10,15,20-tris[4-(2-morpholin-4-ylethoxy)phenyl]porphyrin-21,22-diid-5-yl]phenoxy]ethyl]morpholine is sourced from PubChem (CID 6535449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).