5,15-bis(3,5-dipentoxyphenyl)-21,23-dihydroporphyrin

C52H62N4O4 — CID 136760152

IUPAC5,15-bis(3,5-dipentoxyphenyl)-21,23-dihydroporphyrin
SMILESCCCCCOc1cc(OCCCCC)cc(-c2c3nc(cc4ccc([nH]4)c(-c4cc(OCCCCC)cc(OCCCCC)c4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)c1
InChIInChI=1S/C52H62N4O4/c1-5-9-13-25-57-43-29-37(30-44(35-43)58-26-14-10-6-2)51-47-21-17-39(53-47)33-41-19-23-49(55-41)52(50-24-20-42(56-50)34-40-18-22-48(51)54-40)38-31-45(59-27-15-11-7-3)36-46(32-38)60-28-16-12-8-4/h17-24,29-36,53,56H,5-16,25-28H2,1-4H3/b39-33-,40-34-,41-33-,42-34-,51-47-,51-48-,52-49-,52-50-
InChIKeyZJVPWASRGYTYRA-LGMAEMKUSA-N
MW807.09 g/mol
LogP14.27
Rot. Bonds22

About 5,15-bis(3,5-dipentoxyphenyl)-21,23-dihydroporphyrin

5,15-bis(3,5-dipentoxyphenyl)-21,23-dihydroporphyrin (PubChem CID 136760152) has the molecular formula C52H62N4O4 and a molecular weight of 807.09 g/mol. Its IUPAC name is 5,15-bis(3,5-dipentoxyphenyl)-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,15-bis(3,5-dipentoxyphenyl)-21,23-dihydroporphyrin
PubChem CID136760152
Molecular FormulaC52H62N4O4
Molecular Weight807.09 g/mol
Exact Mass806.48
IUPAC Name5,15-bis(3,5-dipentoxyphenyl)-21,23-dihydroporphyrin
SMILESCCCCCOc1cc(OCCCCC)cc(-c2c3nc(cc4ccc([nH]4)c(-c4cc(OCCCCC)cc(OCCCCC)c4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)c1
InChIInChI=1S/C52H62N4O4/c1-5-9-13-25-57-43-29-37(30-44(35-43)58-26-14-10-6-2)51-47-21-17-39(53-47)33-41-19-23-49(55-41)52(50-24-20-42(56-50)34-40-18-22-48(51)54-40)38-31-45(59-27-15-11-7-3)36-46(32-38)60-28-16-12-8-4/h17-24,29-36,53,56H,5-16,25-28H2,1-4H3/b39-33-,40-34-,41-33-,42-34-,51-47-,51-48-,52-49-,52-50-
InChIKeyZJVPWASRGYTYRA-LGMAEMKUSA-N
XLogP14.27
TPSA94.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.09
LogP ≤ 514.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5,15-bis(3,5-dipentoxyphenyl)-21,23-dihydroporphyrin 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
5,15-bis(3,4-dihexadecoxyphenyl)-21,23-dihydroporphyrin
CID 136740509
5,15-bis(3,5-dioctoxyphenyl)-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21,23-dihydroporphyrin
CID 135399947
3-[4-[15-(4-dodecoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]propyl-dimethyl-[3-(trimethylazaniumyl)propyl]azanium dichloride
CID 135535833
5,15-bis(3,5-dioctoxyphenyl)-10-[4-[3-(4-pyridin-3-ylphenyl)cyclopenta-1,2,4-trien-1-yl]phenyl]-21,23-dihydroporphyrin
CID 177384523
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
5,10,15-tris(3,5-dioctoxyphenyl)-20-phenyl-21,23-dihydroporphyrin
CID 136690948
trimethyl-[3-[4-[15-[4-[3-(trimethylazaniumyl)propoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]propyl]azanium dichloride
CID 135456185
5-(3,5-dimethoxyphenyl)-15-hexyl-21,22-dihydroporphyrin
CID 86056630
5,10,15-tris(2-dodecoxyphenyl)-21,23-dihydroporphyrin
CID 136682901
5,15-bis(3,5-dioctoxyphenyl)-10,20-diiodo-21,22-dihydroporphyrin
CID 11083733

Frequently Asked Questions

What is the IUPAC name of 5,15-bis(3,5-dipentoxyphenyl)-21,23-dihydroporphyrin?
The IUPAC name of 5,15-bis(3,5-dipentoxyphenyl)-21,23-dihydroporphyrin (CID 136760152) is 5,15-bis(3,5-dipentoxyphenyl)-21,23-dihydroporphyrin.
What is the SMILES notation for 5,15-bis(3,5-dipentoxyphenyl)-21,23-dihydroporphyrin?
The canonical SMILES for 5,15-bis(3,5-dipentoxyphenyl)-21,23-dihydroporphyrin is CCCCCOc1cc(OCCCCC)cc(-c2c3nc(cc4ccc([nH]4)c(-c4cc(OCCCCC)cc(OCCCCC)c4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)c1.
What is the InChIKey of 5,15-bis(3,5-dipentoxyphenyl)-21,23-dihydroporphyrin?
The InChIKey is ZJVPWASRGYTYRA-LGMAEMKUSA-N. The full InChI is InChI=1S/C52H62N4O4/c1-5-9-13-25-57-43-29-37(30-44(35-43)58-26-14-10-6-2)51-47-21-17-39(53-47)33-41-19-23-49(55-41)52(50-24-20-42(56-50)34-40-18-22-48(51)54-40)38-31-45(59-27-15-11-7-3)36-46(32-38)60-28-16-12-8-4/h17-24,29-36,53,56H,5-16,25-28H2,1-4H3/b39-33-,40-34-,41-33-,42-34-,51-47-,51-48-,52-49-,52-50-.
What are the key properties of 5,15-bis(3,5-dipentoxyphenyl)-21,23-dihydroporphyrin?
5,15-bis(3,5-dipentoxyphenyl)-21,23-dihydroporphyrin has a molecular weight of 807.09 g/mol, XLogP of 14.27, 22 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-bis(3,5-dipentoxyphenyl)-21,23-dihydroporphyrin is sourced from PubChem (CID 136760152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).