trimethyl-[4-[10,15,20-tris[4-(trimethylazaniumyl)phenyl]porphyrin-5-yl]phenyl]azanium

C56H60N8+4 — CID 70813775

IUPACtrimethyl-[4-[10,15,20-tris[4-(trimethylazaniumyl)phenyl]porphyrin-5-yl]phenyl]azanium
SMILESC[N+](C)(C)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc([N+](C)(C)C)cc3)=C3/C=CC(=N3)/C(c3ccc([N+](C)(C)C)cc3)=C3/C=CC(=N3)/C(c3ccc([N+](C)(C)C)cc3)=C3/C=CC2=N3)cc1
InChIInChI=1S/C56H60N8/c1-61(2,3)41-21-13-37(14-22-41)53-45-29-31-47(57-45)54(38-15-23-42(24-16-38)62(4,5)6)49-33-35-51(59-49)56(40-19-27-44(28-20-40)64(10,11)12)52-36-34-50(60-52)55(48-32-30-46(53)58-48)39-17-25-43(26-18-39)63(7,8)9/h13-36H,1-12H3/q+4/b53-45-,53-46-,54-47-,54-49-,55-48-,55-50-,56-51-,56-52-
InChIKeyBAANBRZPDXIZPV-YFLSTINXSA-N
MW845.15 g/mol
LogP10.48
Rot. Bonds8

About trimethyl-[4-[10,15,20-tris[4-(trimethylazaniumyl)phenyl]porphyrin-5-yl]phenyl]azanium

trimethyl-[4-[10,15,20-tris[4-(trimethylazaniumyl)phenyl]porphyrin-5-yl]phenyl]azanium (PubChem CID 70813775) has the molecular formula C56H60N8+4 and a molecular weight of 845.15 g/mol. Its IUPAC name is trimethyl-[4-[10,15,20-tris[4-(trimethylazaniumyl)phenyl]porphyrin-5-yl]phenyl]azanium.

Molecular Properties

Compound Nametrimethyl-[4-[10,15,20-tris[4-(trimethylazaniumyl)phenyl]porphyrin-5-yl]phenyl]azanium
PubChem CID70813775
Molecular FormulaC56H60N8+4
Molecular Weight845.15 g/mol
Exact Mass844.49
IUPAC Nametrimethyl-[4-[10,15,20-tris[4-(trimethylazaniumyl)phenyl]porphyrin-5-yl]phenyl]azanium
SMILESC[N+](C)(C)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc([N+](C)(C)C)cc3)=C3/C=CC(=N3)/C(c3ccc([N+](C)(C)C)cc3)=C3/C=CC(=N3)/C(c3ccc([N+](C)(C)C)cc3)=C3/C=CC2=N3)cc1
InChIInChI=1S/C56H60N8/c1-61(2,3)41-21-13-37(14-22-41)53-45-29-31-47(57-45)54(38-15-23-42(24-16-38)62(4,5)6)49-33-35-51(59-49)56(40-19-27-44(28-20-40)64(10,11)12)52-36-34-50(60-52)55(48-32-30-46(53)58-48)39-17-25-43(26-18-39)63(7,8)9/h13-36H,1-12H3/q+4/b53-45-,53-46-,54-47-,54-49-,55-48-,55-50-,56-51-,56-52-
InChIKeyBAANBRZPDXIZPV-YFLSTINXSA-N
XLogP10.48
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.15
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze trimethyl-[4-[10,15,20-tris[4-(trimethylazaniumyl)phenyl]porphyrin-5-yl]phenyl]azanium 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 trimethyl-[4-[10,15,20-tris[4-(trimethylazaniumyl)phenyl]porphyrin-5-yl]phenyl]azanium?
The IUPAC name of trimethyl-[4-[10,15,20-tris[4-(trimethylazaniumyl)phenyl]porphyrin-5-yl]phenyl]azanium (CID 70813775) is trimethyl-[4-[10,15,20-tris[4-(trimethylazaniumyl)phenyl]porphyrin-5-yl]phenyl]azanium.
What is the SMILES notation for trimethyl-[4-[10,15,20-tris[4-(trimethylazaniumyl)phenyl]porphyrin-5-yl]phenyl]azanium?
The canonical SMILES for trimethyl-[4-[10,15,20-tris[4-(trimethylazaniumyl)phenyl]porphyrin-5-yl]phenyl]azanium is C[N+](C)(C)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc([N+](C)(C)C)cc3)=C3/C=CC(=N3)/C(c3ccc([N+](C)(C)C)cc3)=C3/C=CC(=N3)/C(c3ccc([N+](C)(C)C)cc3)=C3/C=CC2=N3)cc1.
What is the InChIKey of trimethyl-[4-[10,15,20-tris[4-(trimethylazaniumyl)phenyl]porphyrin-5-yl]phenyl]azanium?
The InChIKey is BAANBRZPDXIZPV-YFLSTINXSA-N. The full InChI is InChI=1S/C56H60N8/c1-61(2,3)41-21-13-37(14-22-41)53-45-29-31-47(57-45)54(38-15-23-42(24-16-38)62(4,5)6)49-33-35-51(59-49)56(40-19-27-44(28-20-40)64(10,11)12)52-36-34-50(60-52)55(48-32-30-46(53)58-48)39-17-25-43(26-18-39)63(7,8)9/h13-36H,1-12H3/q+4/b53-45-,53-46-,54-47-,54-49-,55-48-,55-50-,56-51-,56-52-.
What are the key properties of trimethyl-[4-[10,15,20-tris[4-(trimethylazaniumyl)phenyl]porphyrin-5-yl]phenyl]azanium?
trimethyl-[4-[10,15,20-tris[4-(trimethylazaniumyl)phenyl]porphyrin-5-yl]phenyl]azanium has a molecular weight of 845.15 g/mol, XLogP of 10.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-[10,15,20-tris[4-(trimethylazaniumyl)phenyl]porphyrin-5-yl]phenyl]azanium is sourced from PubChem (CID 70813775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).