3-[4-[15-[4-[2-(diethylamino)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]-N-ethylpropan-1-amine

C43H46N6O2 — CID 136654928

IUPAC3-[4-[15-[4-[2-(diethylamino)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]-N-ethylpropan-1-amine
SMILESCCNCCCOc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccc(OCCN(CC)CC)cc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C43H46N6O2/c1-4-44-24-7-26-50-36-16-8-30(9-17-36)42-38-20-12-32(45-38)28-34-14-22-40(47-34)43(41-23-15-35(48-41)29-33-13-21-39(42)46-33)31-10-18-37(19-11-31)51-27-25-49(5-2)6-3/h8-23,28-29,44-45,48H,4-7,24-27H2,1-3H3/b32-28-,33-29-,34-28-,35-29-,42-38-,42-39-,43-40-,43-41-
InChIKeyXDQLHWWPUXWLSE-CHZNTIKYSA-N
MW678.88 g/mol
LogP9.09
Rot. Bonds14

About 3-[4-[15-[4-[2-(diethylamino)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]-N-ethylpropan-1-amine

3-[4-[15-[4-[2-(diethylamino)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]-N-ethylpropan-1-amine (PubChem CID 136654928) has the molecular formula C43H46N6O2 and a molecular weight of 678.88 g/mol. Its IUPAC name is 3-[4-[15-[4-[2-(diethylamino)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-[15-[4-[2-(diethylamino)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]-N-ethylpropan-1-amine
PubChem CID136654928
Molecular FormulaC43H46N6O2
Molecular Weight678.88 g/mol
Exact Mass678.37
IUPAC Name3-[4-[15-[4-[2-(diethylamino)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]-N-ethylpropan-1-amine
SMILESCCNCCCOc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccc(OCCN(CC)CC)cc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C43H46N6O2/c1-4-44-24-7-26-50-36-16-8-30(9-17-36)42-38-20-12-32(45-38)28-34-14-22-40(47-34)43(41-23-15-35(48-41)29-33-13-21-39(42)46-33)31-10-18-37(19-11-31)51-27-25-49(5-2)6-3/h8-23,28-29,44-45,48H,4-7,24-27H2,1-3H3/b32-28-,33-29-,34-28-,35-29-,42-38-,42-39-,43-40-,43-41-
InChIKeyXDQLHWWPUXWLSE-CHZNTIKYSA-N
XLogP9.09
TPSA91.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.88
LogP ≤ 59.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[4-[15-[4-[2-(diethylamino)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]-N-ethylpropan-1-amine 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

5-(4-dodecoxyphenyl)-15-phenyl-21,23-dihydroporphyrin
CID 141095014
trimethyl-[3-[4-[15-[4-[3-(trimethylazaniumyl)propoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]propyl]azanium
CID 135456186
trimethyl-[2-[4-[15-[4-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium
CID 135466414
trimethyl-[3-[4-[15-[4-[3-(trimethylazaniumyl)propoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]propyl]azanium dichloride
CID 135456185
5,15-bis(3,5-dipentoxyphenyl)-21,23-dihydroporphyrin
CID 136760152
ethyl 4-[4-[15-[4-(4-ethoxy-4-oxobutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]butanoate
CID 135451095
3-[4-[15-(4-dodecoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]propyl-dimethyl-[3-(trimethylazaniumyl)propyl]azanium dichloride
CID 135535833
5,15-bis(3,4-dihexadecoxyphenyl)-21,23-dihydroporphyrin
CID 136740509
5-[4-[4-(21,23-dihydroporphyrin-5-yl)phenyl]phenyl]-21,23-dihydroporphyrin
CID 136749783
4-[15-[4-(4-methoxyanilino)phenyl]-21,22-dihydroporphyrin-5-yl]-N-(4-methoxyphenyl)aniline
CID 10908866
5-(4-methylphenyl)-21,23-dihydroporphyrin;trihydroiodide
CID 174453543
2-(hydroxymethyl)-6-[3-[4-[15-[4-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]propoxy]oxane-3,4,5-triol
CID 135967708

Frequently Asked Questions

What is the IUPAC name of 3-[4-[15-[4-[2-(diethylamino)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]-N-ethylpropan-1-amine?
The IUPAC name of 3-[4-[15-[4-[2-(diethylamino)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]-N-ethylpropan-1-amine (CID 136654928) is 3-[4-[15-[4-[2-(diethylamino)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]-N-ethylpropan-1-amine.
What is the SMILES notation for 3-[4-[15-[4-[2-(diethylamino)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]-N-ethylpropan-1-amine?
The canonical SMILES for 3-[4-[15-[4-[2-(diethylamino)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]-N-ethylpropan-1-amine is CCNCCCOc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccc(OCCN(CC)CC)cc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of 3-[4-[15-[4-[2-(diethylamino)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]-N-ethylpropan-1-amine?
The InChIKey is XDQLHWWPUXWLSE-CHZNTIKYSA-N. The full InChI is InChI=1S/C43H46N6O2/c1-4-44-24-7-26-50-36-16-8-30(9-17-36)42-38-20-12-32(45-38)28-34-14-22-40(47-34)43(41-23-15-35(48-41)29-33-13-21-39(42)46-33)31-10-18-37(19-11-31)51-27-25-49(5-2)6-3/h8-23,28-29,44-45,48H,4-7,24-27H2,1-3H3/b32-28-,33-29-,34-28-,35-29-,42-38-,42-39-,43-40-,43-41-.
What are the key properties of 3-[4-[15-[4-[2-(diethylamino)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]-N-ethylpropan-1-amine?
3-[4-[15-[4-[2-(diethylamino)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]-N-ethylpropan-1-amine has a molecular weight of 678.88 g/mol, XLogP of 9.09, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[15-[4-[2-(diethylamino)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]-N-ethylpropan-1-amine is sourced from PubChem (CID 136654928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).