dichloroplatinum;methylsulfinylmethane;5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin

C48H41Cl2N5OPtS — CID 15793969

IUPACdichloroplatinum;methylsulfinylmethane;5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin
SMILESCS(C)=O.Cc1ccc(-c2c3nc(c(-c4ccncc4)c4nc(c(-c5ccc(C)cc5)c5ccc([nH]5)c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.Cl[Pt]Cl
InChIInChI=1S/C46H35N5.C2H6OS.2ClH.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;;;/h4-27,48-49H,1-3H3;1-2H3;2*1H;/q;;;;+2/p-2/b43-35-,43-36-,44-37-,44-39-,45-38-,45-40-,46-41-,46-42-;;;;
InChIKeyCFSNXQQAQGOVMG-YPEXJPRUSA-L
MW1001.94 g/mol
LogP13.02
Rot. Bonds4

About dichloroplatinum;methylsulfinylmethane;5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin

dichloroplatinum;methylsulfinylmethane;5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin (PubChem CID 15793969) has the molecular formula C48H41Cl2N5OPtS and a molecular weight of 1001.94 g/mol. Its IUPAC name is dichloroplatinum;methylsulfinylmethane;5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin.

Molecular Properties

Compound Namedichloroplatinum;methylsulfinylmethane;5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin
PubChem CID15793969
Molecular FormulaC48H41Cl2N5OPtS
Molecular Weight1001.94 g/mol
Exact Mass1000.21
IUPAC Namedichloroplatinum;methylsulfinylmethane;5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin
SMILESCS(C)=O.Cc1ccc(-c2c3nc(c(-c4ccncc4)c4nc(c(-c5ccc(C)cc5)c5ccc([nH]5)c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.Cl[Pt]Cl
InChIInChI=1S/C46H35N5.C2H6OS.2ClH.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;;;/h4-27,48-49H,1-3H3;1-2H3;2*1H;/q;;;;+2/p-2/b43-35-,43-36-,44-37-,44-39-,45-38-,45-40-,46-41-,46-42-;;;;
InChIKeyCFSNXQQAQGOVMG-YPEXJPRUSA-L
XLogP13.02
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001001.94
LogP ≤ 513.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze dichloroplatinum;methylsulfinylmethane;5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin with MolForge

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Related Compounds

palladium(2+);tetrakis(5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin)
CID 138402828
(dimethyl-λ4-sulfanylidene)oxidanium;platinum(2+);5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin
CID 135454674
nickel;5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin
CID 170920867
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
acetic acid;5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin
CID 135956863
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-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin
CID 135403354
4-[10,20-dipyridin-4-yl-15-(4-sulfophenyl)-21,22-dihydroporphyrin-5-yl]benzenesulfonic acid
CID 10259639
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
4-[10,15-dipyridin-4-yl-20-(4-sulfophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonic acid
CID 135474866

Frequently Asked Questions

What is the IUPAC name of dichloroplatinum;methylsulfinylmethane;5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin?
The IUPAC name of dichloroplatinum;methylsulfinylmethane;5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin (CID 15793969) is dichloroplatinum;methylsulfinylmethane;5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin.
What is the SMILES notation for dichloroplatinum;methylsulfinylmethane;5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin?
The canonical SMILES for dichloroplatinum;methylsulfinylmethane;5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin is CS(C)=O.Cc1ccc(-c2c3nc(c(-c4ccncc4)c4nc(c(-c5ccc(C)cc5)c5ccc([nH]5)c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.Cl[Pt]Cl.
What is the InChIKey of dichloroplatinum;methylsulfinylmethane;5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin?
The InChIKey is CFSNXQQAQGOVMG-YPEXJPRUSA-L. The full InChI is InChI=1S/C46H35N5.C2H6OS.2ClH.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;;;/h4-27,48-49H,1-3H3;1-2H3;2*1H;/q;;;;+2/p-2/b43-35-,43-36-,44-37-,44-39-,45-38-,45-40-,46-41-,46-42-;;;;.
What are the key properties of dichloroplatinum;methylsulfinylmethane;5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin?
dichloroplatinum;methylsulfinylmethane;5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin has a molecular weight of 1001.94 g/mol, XLogP of 13.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroplatinum;methylsulfinylmethane;5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin is sourced from PubChem (CID 15793969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).