2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+)

C36H44N4Pt — CID 636283

IUPAC2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+)
SMILESCCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.[Pt+2]
InChIInChI=1S/C36H44N4.Pt/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;/h17-20H,9-16H2,1-8H3;/q-2;+2/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;
InChIKeyWAODGUVBNLMTSF-XTPDIVBZSA-N
MW727.85 g/mol
LogP9.28
Rot. Bonds8

About 2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+)

2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+) (PubChem CID 636283) has the molecular formula C36H44N4Pt and a molecular weight of 727.85 g/mol. Its IUPAC name is 2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+).

Molecular Properties

Compound Name2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+)
PubChem CID636283
Molecular FormulaC36H44N4Pt
Molecular Weight727.85 g/mol
Exact Mass727.32
IUPAC Name2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+)
SMILESCCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.[Pt+2]
InChIInChI=1S/C36H44N4.Pt/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;/h17-20H,9-16H2,1-8H3;/q-2;+2/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;
InChIKeyWAODGUVBNLMTSF-XTPDIVBZSA-N
XLogP9.28
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.85
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+) 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-octaethylporphyrin-22,24-diide;platinum(2+)?
The IUPAC name of 2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+) (CID 636283) is 2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+).
What is the SMILES notation for 2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+)?
The canonical SMILES for 2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+) is CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.[Pt+2].
What is the InChIKey of 2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+)?
The InChIKey is WAODGUVBNLMTSF-XTPDIVBZSA-N. The full InChI is InChI=1S/C36H44N4.Pt/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;/h17-20H,9-16H2,1-8H3;/q-2;+2/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;.
What are the key properties of 2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+)?
2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+) has a molecular weight of 727.85 g/mol, XLogP of 9.28, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+) is sourced from PubChem (CID 636283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).