5,10,15,20-tetrachloro-2,3,7,8,12,13,17,18-octaethylporphyrin

C36H40Cl4N4 — CID 67705161

IUPAC5,10,15,20-tetrachloro-2,3,7,8,12,13,17,18-octaethylporphyrin
SMILESCCC1=C(CC)/C2=C(\Cl)C3=N/C(=C(/Cl)C4=N/C(=C(/Cl)C5=N/C(=C(/Cl)C1=N2)C(CC)=C5CC)C(CC)=C4CC)C(CC)=C3CC
InChIInChI=1S/C36H40Cl4N4/c1-9-17-18(10-2)30-26(38)32-21(13-5)22(14-6)34(43-32)28(40)36-24(16-8)23(15-7)35(44-36)27(39)33-20(12-4)19(11-3)31(42-33)25(37)29(17)41-30/h9-16H2,1-8H3/b29-25+,30-26+,31-25+,32-26+,33-27+,34-28+,35-27+,36-28+
InChIKeyNRBFTTJRQMVNNO-CCHMHMSCSA-N
MW670.56 g/mol
LogP12.09
Rot. Bonds8

About 5,10,15,20-tetrachloro-2,3,7,8,12,13,17,18-octaethylporphyrin

5,10,15,20-tetrachloro-2,3,7,8,12,13,17,18-octaethylporphyrin (PubChem CID 67705161) has the molecular formula C36H40Cl4N4 and a molecular weight of 670.56 g/mol. Its IUPAC name is 5,10,15,20-tetrachloro-2,3,7,8,12,13,17,18-octaethylporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrachloro-2,3,7,8,12,13,17,18-octaethylporphyrin
PubChem CID67705161
Molecular FormulaC36H40Cl4N4
Molecular Weight670.56 g/mol
Exact Mass668.20
IUPAC Name5,10,15,20-tetrachloro-2,3,7,8,12,13,17,18-octaethylporphyrin
SMILESCCC1=C(CC)/C2=C(\Cl)C3=N/C(=C(/Cl)C4=N/C(=C(/Cl)C5=N/C(=C(/Cl)C1=N2)C(CC)=C5CC)C(CC)=C4CC)C(CC)=C3CC
InChIInChI=1S/C36H40Cl4N4/c1-9-17-18(10-2)30-26(38)32-21(13-5)22(14-6)34(43-32)28(40)36-24(16-8)23(15-7)35(44-36)27(39)33-20(12-4)19(11-3)31(42-33)25(37)29(17)41-30/h9-16H2,1-8H3/b29-25+,30-26+,31-25+,32-26+,33-27+,34-28+,35-27+,36-28+
InChIKeyNRBFTTJRQMVNNO-CCHMHMSCSA-N
XLogP12.09
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.56
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,10,15,20-tetrachloro-2,3,7,8,12,13,17,18-octaethylporphyrin 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 5,10,15,20-tetrachloro-2,3,7,8,12,13,17,18-octaethylporphyrin?
The IUPAC name of 5,10,15,20-tetrachloro-2,3,7,8,12,13,17,18-octaethylporphyrin (CID 67705161) is 5,10,15,20-tetrachloro-2,3,7,8,12,13,17,18-octaethylporphyrin.
What is the SMILES notation for 5,10,15,20-tetrachloro-2,3,7,8,12,13,17,18-octaethylporphyrin?
The canonical SMILES for 5,10,15,20-tetrachloro-2,3,7,8,12,13,17,18-octaethylporphyrin is CCC1=C(CC)/C2=C(\Cl)C3=N/C(=C(/Cl)C4=N/C(=C(/Cl)C5=N/C(=C(/Cl)C1=N2)C(CC)=C5CC)C(CC)=C4CC)C(CC)=C3CC.
What is the InChIKey of 5,10,15,20-tetrachloro-2,3,7,8,12,13,17,18-octaethylporphyrin?
The InChIKey is NRBFTTJRQMVNNO-CCHMHMSCSA-N. The full InChI is InChI=1S/C36H40Cl4N4/c1-9-17-18(10-2)30-26(38)32-21(13-5)22(14-6)34(43-32)28(40)36-24(16-8)23(15-7)35(44-36)27(39)33-20(12-4)19(11-3)31(42-33)25(37)29(17)41-30/h9-16H2,1-8H3/b29-25+,30-26+,31-25+,32-26+,33-27+,34-28+,35-27+,36-28+.
What are the key properties of 5,10,15,20-tetrachloro-2,3,7,8,12,13,17,18-octaethylporphyrin?
5,10,15,20-tetrachloro-2,3,7,8,12,13,17,18-octaethylporphyrin has a molecular weight of 670.56 g/mol, XLogP of 12.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrachloro-2,3,7,8,12,13,17,18-octaethylporphyrin is sourced from PubChem (CID 67705161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).