2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetraphenylporphyrin

C60H60N4 — CID 66704209

IUPAC2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetraphenylporphyrin
SMILESCCC1=C(CC)/C2=C(\c3ccccc3)C3=N/C(=C(/c4ccccc4)C4=N/C(=C(/c5ccccc5)C5=N/C(=C(/c6ccccc6)C1=N2)C(CC)=C5CC)C(CC)=C4CC)C(CC)=C3CC
InChIInChI=1S/C60H60N4/c1-9-41-42(10-2)54-50(38-31-23-18-24-32-38)56-45(13-5)46(14-6)58(63-56)52(40-35-27-20-28-36-40)60-48(16-8)47(15-7)59(64-60)51(39-33-25-19-26-34-39)57-44(12-4)43(11-3)55(62-57)49(53(41)61-54)37-29-21-17-22-30-37/h17-36H,9-16H2,1-8H3/b53-49-,54-50-,55-49-,56-50-,57-51-,58-52-,59-51-,60-52-
InChIKeyAZBCKENITPIFJZ-CEFGTSHDSA-N
MW837.17 g/mol
LogP15.93
Rot. Bonds12

About 2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetraphenylporphyrin

2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetraphenylporphyrin (PubChem CID 66704209) has the molecular formula C60H60N4 and a molecular weight of 837.17 g/mol. Its IUPAC name is 2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetraphenylporphyrin.

Molecular Properties

Compound Name2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetraphenylporphyrin
PubChem CID66704209
Molecular FormulaC60H60N4
Molecular Weight837.17 g/mol
Exact Mass836.48
IUPAC Name2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetraphenylporphyrin
SMILESCCC1=C(CC)/C2=C(\c3ccccc3)C3=N/C(=C(/c4ccccc4)C4=N/C(=C(/c5ccccc5)C5=N/C(=C(/c6ccccc6)C1=N2)C(CC)=C5CC)C(CC)=C4CC)C(CC)=C3CC
InChIInChI=1S/C60H60N4/c1-9-41-42(10-2)54-50(38-31-23-18-24-32-38)56-45(13-5)46(14-6)58(63-56)52(40-35-27-20-28-36-40)60-48(16-8)47(15-7)59(64-60)51(39-33-25-19-26-34-39)57-44(12-4)43(11-3)55(62-57)49(53(41)61-54)37-29-21-17-22-30-37/h17-36H,9-16H2,1-8H3/b53-49-,54-50-,55-49-,56-50-,57-51-,58-52-,59-51-,60-52-
InChIKeyAZBCKENITPIFJZ-CEFGTSHDSA-N
XLogP15.93
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.17
LogP ≤ 515.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetraphenylporphyrin 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 2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetraphenylporphyrin?
The IUPAC name of 2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetraphenylporphyrin (CID 66704209) is 2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetraphenylporphyrin.
What is the SMILES notation for 2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetraphenylporphyrin?
The canonical SMILES for 2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetraphenylporphyrin is CCC1=C(CC)/C2=C(\c3ccccc3)C3=N/C(=C(/c4ccccc4)C4=N/C(=C(/c5ccccc5)C5=N/C(=C(/c6ccccc6)C1=N2)C(CC)=C5CC)C(CC)=C4CC)C(CC)=C3CC.
What is the InChIKey of 2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetraphenylporphyrin?
The InChIKey is AZBCKENITPIFJZ-CEFGTSHDSA-N. The full InChI is InChI=1S/C60H60N4/c1-9-41-42(10-2)54-50(38-31-23-18-24-32-38)56-45(13-5)46(14-6)58(63-56)52(40-35-27-20-28-36-40)60-48(16-8)47(15-7)59(64-60)51(39-33-25-19-26-34-39)57-44(12-4)43(11-3)55(62-57)49(53(41)61-54)37-29-21-17-22-30-37/h17-36H,9-16H2,1-8H3/b53-49-,54-50-,55-49-,56-50-,57-51-,58-52-,59-51-,60-52-.
What are the key properties of 2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetraphenylporphyrin?
2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetraphenylporphyrin has a molecular weight of 837.17 g/mol, XLogP of 15.93, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetraphenylporphyrin is sourced from PubChem (CID 66704209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).