2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(dimethylamino)ethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]-N,N-dimethylethanamine

C66H79N7O4 — CID 90827452

IUPAC2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(dimethylamino)ethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]-N,N-dimethylethanamine
SMILESCCCCCCCCCCOc1ccc(C2=c3ccc([nH]3)=C(c3ccc(OCCN(C)C)cc3)c3ccc([nH]3)C(c3ccc(OCCN(C)C)cc3)=c3ccc([nH]3)=C(c3ccc(OCCN(C)C)cc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C66H79N7O4/c1-8-9-10-11-12-13-14-15-43-74-51-24-16-47(17-25-51)63-55-32-34-57(67-55)64(48-18-26-52(27-19-48)75-44-40-71(2)3)59-36-38-61(69-59)66(50-22-30-54(31-23-50)77-46-42-73(6)7)62-39-37-60(70-62)65(58-35-33-56(63)68-58)49-20-28-53(29-21-49)76-45-41-72(4)5/h16-39,67-70H,8-15,40-46H2,1-7H3
InChIKeyKZXMAJMEVCBNKR-UHFFFAOYSA-N
MW1034.40 g/mol
LogP9.64
Rot. Bonds26

About 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(dimethylamino)ethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]-N,N-dimethylethanamine

2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(dimethylamino)ethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]-N,N-dimethylethanamine (PubChem CID 90827452) has the molecular formula C66H79N7O4 and a molecular weight of 1034.40 g/mol. Its IUPAC name is 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(dimethylamino)ethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(dimethylamino)ethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]-N,N-dimethylethanamine
PubChem CID90827452
Molecular FormulaC66H79N7O4
Molecular Weight1034.40 g/mol
Exact Mass1033.62
IUPAC Name2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(dimethylamino)ethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]-N,N-dimethylethanamine
SMILESCCCCCCCCCCOc1ccc(C2=c3ccc([nH]3)=C(c3ccc(OCCN(C)C)cc3)c3ccc([nH]3)C(c3ccc(OCCN(C)C)cc3)=c3ccc([nH]3)=C(c3ccc(OCCN(C)C)cc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C66H79N7O4/c1-8-9-10-11-12-13-14-15-43-74-51-24-16-47(17-25-51)63-55-32-34-57(67-55)64(48-18-26-52(27-19-48)75-44-40-71(2)3)59-36-38-61(69-59)66(50-22-30-54(31-23-50)77-46-42-73(6)7)62-39-37-60(70-62)65(58-35-33-56(63)68-58)49-20-28-53(29-21-49)76-45-41-72(4)5/h16-39,67-70H,8-15,40-46H2,1-7H3
InChIKeyKZXMAJMEVCBNKR-UHFFFAOYSA-N
XLogP9.64
TPSA109.80 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds26
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001034.40
LogP ≤ 59.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(dimethylamino)ethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]-N,N-dimethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Exeporfinium chloride
CID 135456185
5,10,15,20-Tetrakis(4-methoxyphenyl)porphyrin
CID 135404412
2-[4-(10,15,20-Triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethyl nitrate
CID 135869413
(2Z)-3-methoxy-5-[5-[(4-methoxyphenyl)methyl]-1H-pyrrol-2-yl]-2-[(5-methyl-4-pentyl-1H-pyrrol-2-yl)methylidene]pyrrole;hydrochloride
CID 166635825
Indole, 2,3-bis(p-(2-(diethylamino)ethoxy)phenyl)-
CID 22020
[5,10,15,20-Tetrakis(4-methoxyphenyl)porphyrinato]cobalt(II)
CID 4009493
N-[3-[4-(1H-indol-2-yl)phenoxy]propyl]-2-methoxyaniline
CID 76324959
5-(4-Methoxyphenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 135507716
2-[4-[10,15,20-Tris[4-(2-hydroxyethoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethanol
CID 135897829
2-[4-[10,15,20-Tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl nitrate
CID 136184142
3-[4-(10,15,20-Triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]propyl nitrate
CID 136184143
3-[4-[10,15,20-Tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]propyl nitrate
CID 136184144

Frequently Asked Questions

What is the IUPAC name of 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(dimethylamino)ethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(dimethylamino)ethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]-N,N-dimethylethanamine (CID 90827452) is 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(dimethylamino)ethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(dimethylamino)ethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(dimethylamino)ethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]-N,N-dimethylethanamine is CCCCCCCCCCOc1ccc(C2=c3ccc([nH]3)=C(c3ccc(OCCN(C)C)cc3)c3ccc([nH]3)C(c3ccc(OCCN(C)C)cc3)=c3ccc([nH]3)=C(c3ccc(OCCN(C)C)cc3)c3ccc2[nH]3)cc1.
What is the InChIKey of 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(dimethylamino)ethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]-N,N-dimethylethanamine?
The InChIKey is KZXMAJMEVCBNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H79N7O4/c1-8-9-10-11-12-13-14-15-43-74-51-24-16-47(17-25-51)63-55-32-34-57(67-55)64(48-18-26-52(27-19-48)75-44-40-71(2)3)59-36-38-61(69-59)66(50-22-30-54(31-23-50)77-46-42-73(6)7)62-39-37-60(70-62)65(58-35-33-56(63)68-58)49-20-28-53(29-21-49)76-45-41-72(4)5/h16-39,67-70H,8-15,40-46H2,1-7H3.
What are the key properties of 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(dimethylamino)ethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]-N,N-dimethylethanamine?
2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(dimethylamino)ethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]-N,N-dimethylethanamine has a molecular weight of 1034.40 g/mol, XLogP of 9.64, 26 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(dimethylamino)ethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 90827452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).