1-[3-(2,6-diphenylphenyl)-5-[3-(trideuteriomethyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]-3-(trideuteriomethyl)-2H-imidazol-2-ide;phenothiazin-10-ide 5,5-dioxide;platinum(4+)

C44H35N5O2PtS — CID 155650510

IUPAC1-[3-(2,6-diphenylphenyl)-5-[3-(trideuteriomethyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]-3-(trideuteriomethyl)-2H-imidazol-2-ide;phenothiazin-10-ide 5,5-dioxide;platinum(4+)
SMILESO=S1(=O)c2ccccc2[N-]c2ccccc21.[2H]C([2H])([2H])N1C=CN(c2[c-]c(N3C=CN(C([2H])([2H])[2H])[CH-]3)cc(-c3c(-c4ccccc4)cccc3-c3ccccc3)c2)[CH-]1.[Pt+4]
InChIInChI=1S/C32H27N4.C12H8NO2S.Pt/c1-33-16-18-35(23-33)28-20-27(21-29(22-28)36-19-17-34(2)24-36)32-30(25-10-5-3-6-11-25)14-9-15-31(32)26-12-7-4-8-13-26;14-16(15)11-7-3-1-5-9(11)13-10-6-2-4-8-12(10)16;/h3-21,23-24H,1-2H3;1-8H;/q-3;-1;+4/i1D3,2D3;;
InChIKeyMKWKQWGTJOLBFR-ADBWCSELSA-N
MW898.98 g/mol
LogP10.34
Rot. Bonds7

About 1-[3-(2,6-diphenylphenyl)-5-[3-(trideuteriomethyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]-3-(trideuteriomethyl)-2H-imidazol-2-ide;phenothiazin-10-ide 5,5-dioxide;platinum(4+)

1-[3-(2,6-diphenylphenyl)-5-[3-(trideuteriomethyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]-3-(trideuteriomethyl)-2H-imidazol-2-ide;phenothiazin-10-ide 5,5-dioxide;platinum(4+) (PubChem CID 155650510) has the molecular formula C44H35N5O2PtS and a molecular weight of 898.98 g/mol. Its IUPAC name is 1-[3-(2,6-diphenylphenyl)-5-[3-(trideuteriomethyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]-3-(trideuteriomethyl)-2H-imidazol-2-ide;phenothiazin-10-ide 5,5-dioxide;platinum(4+).

Molecular Properties

Compound Name1-[3-(2,6-diphenylphenyl)-5-[3-(trideuteriomethyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]-3-(trideuteriomethyl)-2H-imidazol-2-ide;phenothiazin-10-ide 5,5-dioxide;platinum(4+)
PubChem CID155650510
Molecular FormulaC44H35N5O2PtS
Molecular Weight898.98 g/mol
Exact Mass898.25
IUPAC Name1-[3-(2,6-diphenylphenyl)-5-[3-(trideuteriomethyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]-3-(trideuteriomethyl)-2H-imidazol-2-ide;phenothiazin-10-ide 5,5-dioxide;platinum(4+)
SMILESO=S1(=O)c2ccccc2[N-]c2ccccc21.[2H]C([2H])([2H])N1C=CN(c2[c-]c(N3C=CN(C([2H])([2H])[2H])[CH-]3)cc(-c3c(-c4ccccc4)cccc3-c3ccccc3)c2)[CH-]1.[Pt+4]
InChIInChI=1S/C32H27N4.C12H8NO2S.Pt/c1-33-16-18-35(23-33)28-20-27(21-29(22-28)36-19-17-34(2)24-36)32-30(25-10-5-3-6-11-25)14-9-15-31(32)26-12-7-4-8-13-26;14-16(15)11-7-3-1-5-9(11)13-10-6-2-4-8-12(10)16;/h3-21,23-24H,1-2H3;1-8H;/q-3;-1;+4/i1D3,2D3;;
InChIKeyMKWKQWGTJOLBFR-ADBWCSELSA-N
XLogP10.34
TPSA61.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500898.98
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;platinum(4+);cyanide
CID 177105696
1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide
CID 177105806
2-(4-chlorophenyl)dibenzothiophene 5,5-dioxide
CID 148523872
10-(4-methyl-2-phenylphenyl)phenothiazine 5,5-dioxide
CID 59573421
2-(3-chlorophenyl)dibenzothiophene 5,5-dioxide
CID 169131798
1-methyl-4-[2-(3-phenylphenyl)phenyl]benzene
CID 58390014
3,4,5,6-tetraphenyl-14λ6-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene 14,14-dioxide
CID 12747549
2-chloro-1,3-difluoro-5-(2,4,6-triphenylphenyl)benzene
CID 176875613
5-(4-phenylphenyl)-8λ6-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene 8,8-dioxide
CID 122485077
2-[6-(2,3-diphenylphenyl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297196
2-(4-chlorophenyl)-5,5-dimethyldibenzothiophene
CID 166898686
1-(2,6-diphenylphenyl)-3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide
CID 177105798

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-diphenylphenyl)-5-[3-(trideuteriomethyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]-3-(trideuteriomethyl)-2H-imidazol-2-ide;phenothiazin-10-ide 5,5-dioxide;platinum(4+)?
The IUPAC name of 1-[3-(2,6-diphenylphenyl)-5-[3-(trideuteriomethyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]-3-(trideuteriomethyl)-2H-imidazol-2-ide;phenothiazin-10-ide 5,5-dioxide;platinum(4+) (CID 155650510) is 1-[3-(2,6-diphenylphenyl)-5-[3-(trideuteriomethyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]-3-(trideuteriomethyl)-2H-imidazol-2-ide;phenothiazin-10-ide 5,5-dioxide;platinum(4+).
What is the SMILES notation for 1-[3-(2,6-diphenylphenyl)-5-[3-(trideuteriomethyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]-3-(trideuteriomethyl)-2H-imidazol-2-ide;phenothiazin-10-ide 5,5-dioxide;platinum(4+)?
The canonical SMILES for 1-[3-(2,6-diphenylphenyl)-5-[3-(trideuteriomethyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]-3-(trideuteriomethyl)-2H-imidazol-2-ide;phenothiazin-10-ide 5,5-dioxide;platinum(4+) is O=S1(=O)c2ccccc2[N-]c2ccccc21.[2H]C([2H])([2H])N1C=CN(c2[c-]c(N3C=CN(C([2H])([2H])[2H])[CH-]3)cc(-c3c(-c4ccccc4)cccc3-c3ccccc3)c2)[CH-]1.[Pt+4].
What is the InChIKey of 1-[3-(2,6-diphenylphenyl)-5-[3-(trideuteriomethyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]-3-(trideuteriomethyl)-2H-imidazol-2-ide;phenothiazin-10-ide 5,5-dioxide;platinum(4+)?
The InChIKey is MKWKQWGTJOLBFR-ADBWCSELSA-N. The full InChI is InChI=1S/C32H27N4.C12H8NO2S.Pt/c1-33-16-18-35(23-33)28-20-27(21-29(22-28)36-19-17-34(2)24-36)32-30(25-10-5-3-6-11-25)14-9-15-31(32)26-12-7-4-8-13-26;14-16(15)11-7-3-1-5-9(11)13-10-6-2-4-8-12(10)16;/h3-21,23-24H,1-2H3;1-8H;/q-3;-1;+4/i1D3,2D3;;.
What are the key properties of 1-[3-(2,6-diphenylphenyl)-5-[3-(trideuteriomethyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]-3-(trideuteriomethyl)-2H-imidazol-2-ide;phenothiazin-10-ide 5,5-dioxide;platinum(4+)?
1-[3-(2,6-diphenylphenyl)-5-[3-(trideuteriomethyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]-3-(trideuteriomethyl)-2H-imidazol-2-ide;phenothiazin-10-ide 5,5-dioxide;platinum(4+) has a molecular weight of 898.98 g/mol, XLogP of 10.34, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-diphenylphenyl)-5-[3-(trideuteriomethyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]-3-(trideuteriomethyl)-2H-imidazol-2-ide;phenothiazin-10-ide 5,5-dioxide;platinum(4+) is sourced from PubChem (CID 155650510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).