2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(4+)

C36H44N4Pt+2 — CID 172547960

IUPAC2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(4+)
SMILESCCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.[Pt+4]
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;+4/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;
InChIKeyCIJPKBWMQTYKMF-XTPDIVBZSA-N
MW727.85 g/mol
LogP9.28
Rot. Bonds8

About 2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(4+)

2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(4+) (PubChem CID 172547960) has the molecular formula C36H44N4Pt+2 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(4+).

Molecular Properties

Compound Name2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(4+)
PubChem CID172547960
Molecular FormulaC36H44N4Pt+2
Molecular Weight727.85 g/mol
Exact Mass727.32
IUPAC Name2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(4+)
SMILESCCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.[Pt+4]
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;+4/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;
InChIKeyCIJPKBWMQTYKMF-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(4+) with MolForge

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

Launch Full Analysis

Related Compounds

2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+)
CID 636283
bis(chlororuthenium(2+));bis(2,3,7,8,12,13,17,18-octaethylporphyrin-21,22-diide);hydrate
CID 50921461
CID 59398931
CID 59398931
2,3,7,8,12,13-hexaethyl-17,18-diethynylporphyrin-22,24-diide;platinum(2+)
CID 58084661
2,3,7,8,12,13,17,18-octaethyl-21-methylporphyrin-21-ium-22,24-diide;platinum(2+)
CID 58666241
3-methylbutane-1-thiolate;nitroxyl anion;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;ruthenium(4+)
CID 134928607
copper 2,18-diethyl-3,7,8,12,13,17-hexamethylporphyrin-22,24-diide
CID 10625564
N,N-dimethyl-1-(2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diid-5-yl)methanamine;nickel(2+)
CID 11028678
zinc 2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide-5-carbaldehyde
CID 11966598
dicopper;2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-5-[2-(2,7,12,17-tetraethyl-3,8,13,18-tetramethylporphyrin-21,23-diid-5-yl)ethyl]porphyrin-21,23-diide
CID 10855214
copper 2,8,13-triethyl-3,7,12,17-tetramethylporphyrin-22,24-diide
CID 134915764
butane;bis(3-butyl-1,2-dihydroimidazol-2-ide);iridium;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide
CID 158061892

Frequently Asked Questions

What is the IUPAC name of 2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(4+)?
The IUPAC name of 2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(4+) (CID 172547960) is 2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(4+).
What is the SMILES notation for 2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(4+)?
The canonical SMILES for 2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(4+) is CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.[Pt+4].
What is the InChIKey of 2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(4+)?
The InChIKey is CIJPKBWMQTYKMF-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;+4/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(4+)?
2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(4+) 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(4+) is sourced from PubChem (CID 172547960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).