(dimethyl-λ4-sulfanylidene)oxidanium;platinum(2+);5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin

C48H42N5OPtS+3 — CID 135454674

IUPAC(dimethyl-λ4-sulfanylidene)oxidanium;platinum(2+);5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin
SMILESCc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4nc(c(-c5ccncc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[H][O+]=S(C)C.[Pt+2]
InChIInChI=1S/C46H35N5.C2H6OS.Pt/c1-28-4-10-31(11-5-28)43-35-16-18-37(48-35)44(32-12-6-29(2)7-13-32)39-20-22-41(50-39)46(34-24-26-47-27-25-34)42-23-21-40(51-42)45(38-19-17-36(43)49-38)33-14-8-30(3)9-15-33;1-4(2)3;/h4-27,48,51H,1-3H3;1-2H3;/q;;+2/p+1/b43-35-,43-36-,44-37-,44-39-,45-38-,45-40-,46-41-,46-42-;;
InChIKeyIKROUISRVDGAJT-NPOFMVBCSA-O
MW932.04 g/mol
LogP11.79
Rot. Bonds4

About (dimethyl-λ4-sulfanylidene)oxidanium;platinum(2+);5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin

(dimethyl-λ4-sulfanylidene)oxidanium;platinum(2+);5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin (PubChem CID 135454674) has the molecular formula C48H42N5OPtS+3 and a molecular weight of 932.04 g/mol. Its IUPAC name is (dimethyl-λ4-sulfanylidene)oxidanium;platinum(2+);5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name(dimethyl-λ4-sulfanylidene)oxidanium;platinum(2+);5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin
PubChem CID135454674
Molecular FormulaC48H42N5OPtS+3
Molecular Weight932.04 g/mol
Exact Mass931.27
IUPAC Name(dimethyl-λ4-sulfanylidene)oxidanium;platinum(2+);5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin
SMILESCc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4nc(c(-c5ccncc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[H][O+]=S(C)C.[Pt+2]
InChIInChI=1S/C46H35N5.C2H6OS.Pt/c1-28-4-10-31(11-5-28)43-35-16-18-37(48-35)44(32-12-6-29(2)7-13-32)39-20-22-41(50-39)46(34-24-26-47-27-25-34)42-23-21-40(51-42)45(38-19-17-36(43)49-38)33-14-8-30(3)9-15-33;1-4(2)3;/h4-27,48,51H,1-3H3;1-2H3;/q;;+2/p+1/b43-35-,43-36-,44-37-,44-39-,45-38-,45-40-,46-41-,46-42-;;
InChIKeyIKROUISRVDGAJT-NPOFMVBCSA-O
XLogP11.79
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500932.04
LogP ≤ 511.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze (dimethyl-λ4-sulfanylidene)oxidanium;platinum(2+);5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin 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

palladium(2+);tetrakis(5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin)
CID 138402828
dichloroplatinum;methylsulfinylmethane;5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin
CID 15793969
5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
CID 102214852
5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-pyridin-4-yl-21,23-dihydroporphyrin
CID 135467968
nickel;5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin
CID 170920867
5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin
CID 135403354
acetic acid;5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin
CID 135956863
5,15-bis(4-ethynylphenyl)-10,20-dipyridin-4-yl-21,23-dihydroporphyrin
CID 137274122
5,10,15-tris(4-methylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin
CID 135590703
5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin
CID 135778239
4-methyl-N-(4-methylphenyl)-N-[4-[10,15,20-tris[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline
CID 101169394
5,10,15-tris(4-methylphenyl)-20-(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin
CID 135453156

Frequently Asked Questions

What is the IUPAC name of (dimethyl-λ4-sulfanylidene)oxidanium;platinum(2+);5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin?
The IUPAC name of (dimethyl-λ4-sulfanylidene)oxidanium;platinum(2+);5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin (CID 135454674) is (dimethyl-λ4-sulfanylidene)oxidanium;platinum(2+);5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin.
What is the SMILES notation for (dimethyl-λ4-sulfanylidene)oxidanium;platinum(2+);5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin?
The canonical SMILES for (dimethyl-λ4-sulfanylidene)oxidanium;platinum(2+);5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin is Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4nc(c(-c5ccncc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[H][O+]=S(C)C.[Pt+2].
What is the InChIKey of (dimethyl-λ4-sulfanylidene)oxidanium;platinum(2+);5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin?
The InChIKey is IKROUISRVDGAJT-NPOFMVBCSA-O. The full InChI is InChI=1S/C46H35N5.C2H6OS.Pt/c1-28-4-10-31(11-5-28)43-35-16-18-37(48-35)44(32-12-6-29(2)7-13-32)39-20-22-41(50-39)46(34-24-26-47-27-25-34)42-23-21-40(51-42)45(38-19-17-36(43)49-38)33-14-8-30(3)9-15-33;1-4(2)3;/h4-27,48,51H,1-3H3;1-2H3;/q;;+2/p+1/b43-35-,43-36-,44-37-,44-39-,45-38-,45-40-,46-41-,46-42-;;.
What are the key properties of (dimethyl-λ4-sulfanylidene)oxidanium;platinum(2+);5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin?
(dimethyl-λ4-sulfanylidene)oxidanium;platinum(2+);5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin has a molecular weight of 932.04 g/mol, XLogP of 11.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (dimethyl-λ4-sulfanylidene)oxidanium;platinum(2+);5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin is sourced from PubChem (CID 135454674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).