5,15-bis(3,5-dihexylphenyl)porphyrin

C56H68N4 — CID 118202483

IUPAC5,15-bis(3,5-dihexylphenyl)porphyrin
SMILESCCCCCCc1cc(CCCCCC)cc(/C2=C3\C=CC(=N3)/C=C3/C=CC(=N3)/C(c3cc(CCCCCC)cc(CCCCCC)c3)=C3/C=CC(=N3)/C=C3/C=CC2=N3)c1
InChIInChI=1S/C56H68N4/c1-5-9-13-17-21-41-33-42(22-18-14-10-6-2)36-45(35-41)55-51-29-25-47(57-51)39-49-27-31-53(59-49)56(54-32-28-50(60-54)40-48-26-30-52(55)58-48)46-37-43(23-19-15-11-7-3)34-44(38-46)24-20-16-12-8-4/h25-40H,5-24H2,1-4H3/b47-39-,48-40-,49-39-,50-40-,55-51-,55-52-,56-53-,56-54-
InChIKeyJMOCCMBHXBSJOK-XDSNLNQVSA-N
MW797.19 g/mol
LogP15.12
Rot. Bonds22

About 5,15-bis(3,5-dihexylphenyl)porphyrin

5,15-bis(3,5-dihexylphenyl)porphyrin (PubChem CID 118202483) has the molecular formula C56H68N4 and a molecular weight of 797.19 g/mol. Its IUPAC name is 5,15-bis(3,5-dihexylphenyl)porphyrin.

Molecular Properties

Compound Name5,15-bis(3,5-dihexylphenyl)porphyrin
PubChem CID118202483
Molecular FormulaC56H68N4
Molecular Weight797.19 g/mol
Exact Mass796.54
IUPAC Name5,15-bis(3,5-dihexylphenyl)porphyrin
SMILESCCCCCCc1cc(CCCCCC)cc(/C2=C3\C=CC(=N3)/C=C3/C=CC(=N3)/C(c3cc(CCCCCC)cc(CCCCCC)c3)=C3/C=CC(=N3)/C=C3/C=CC2=N3)c1
InChIInChI=1S/C56H68N4/c1-5-9-13-17-21-41-33-42(22-18-14-10-6-2)36-45(35-41)55-51-29-25-47(57-51)39-49-27-31-53(59-49)56(54-32-28-50(60-54)40-48-26-30-52(55)58-48)46-37-43(23-19-15-11-7-3)34-44(38-46)24-20-16-12-8-4/h25-40H,5-24H2,1-4H3/b47-39-,48-40-,49-39-,50-40-,55-51-,55-52-,56-53-,56-54-
InChIKeyJMOCCMBHXBSJOK-XDSNLNQVSA-N
XLogP15.12
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.19
LogP ≤ 515.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,15-bis(3,5-dihexylphenyl)porphyrin with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,15-bis(3,5-dihexylphenyl)porphyrin?
The IUPAC name of 5,15-bis(3,5-dihexylphenyl)porphyrin (CID 118202483) is 5,15-bis(3,5-dihexylphenyl)porphyrin.
What is the SMILES notation for 5,15-bis(3,5-dihexylphenyl)porphyrin?
The canonical SMILES for 5,15-bis(3,5-dihexylphenyl)porphyrin is CCCCCCc1cc(CCCCCC)cc(/C2=C3\C=CC(=N3)/C=C3/C=CC(=N3)/C(c3cc(CCCCCC)cc(CCCCCC)c3)=C3/C=CC(=N3)/C=C3/C=CC2=N3)c1.
What is the InChIKey of 5,15-bis(3,5-dihexylphenyl)porphyrin?
The InChIKey is JMOCCMBHXBSJOK-XDSNLNQVSA-N. The full InChI is InChI=1S/C56H68N4/c1-5-9-13-17-21-41-33-42(22-18-14-10-6-2)36-45(35-41)55-51-29-25-47(57-51)39-49-27-31-53(59-49)56(54-32-28-50(60-54)40-48-26-30-52(55)58-48)46-37-43(23-19-15-11-7-3)34-44(38-46)24-20-16-12-8-4/h25-40H,5-24H2,1-4H3/b47-39-,48-40-,49-39-,50-40-,55-51-,55-52-,56-53-,56-54-.
What are the key properties of 5,15-bis(3,5-dihexylphenyl)porphyrin?
5,15-bis(3,5-dihexylphenyl)porphyrin has a molecular weight of 797.19 g/mol, XLogP of 15.12, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-bis(3,5-dihexylphenyl)porphyrin is sourced from PubChem (CID 118202483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).