bis(2-phenyl-1,3-thiazole);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide)

C40H26N6Pt2S2 — CID 176621935

IUPACbis(2-phenyl-1,3-thiazole);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide)
SMILES[Pt+2].[Pt+2].[c-]1ccccc1-c1nccs1.[c-]1ccccc1-c1nccs1.c1ccc2c(c1)[n-]c1ncccc12.c1ccc2c(c1)[n-]c1ncccc12
InChIInChI=1S/2C11H7N2.2C9H6NS.2Pt/c2*1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;2*1-2-4-8(5-3-1)9-10-6-7-11-9;;/h2*1-7H;2*1-4,6-7H;;/q4*-1;2*+2
InChIKeyQXIMEUJKAVNKPP-UHFFFAOYSA-N
MW1044.98 g/mol
LogP9.91
Rot. Bonds2

About bis(2-phenyl-1,3-thiazole);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide)

bis(2-phenyl-1,3-thiazole);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide) (PubChem CID 176621935) has the molecular formula C40H26N6Pt2S2 and a molecular weight of 1044.98 g/mol. Its IUPAC name is bis(2-phenyl-1,3-thiazole);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide).

Molecular Properties

Compound Namebis(2-phenyl-1,3-thiazole);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide)
PubChem CID176621935
Molecular FormulaC40H26N6Pt2S2
Molecular Weight1044.98 g/mol
Exact Mass1044.10
IUPAC Namebis(2-phenyl-1,3-thiazole);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide)
SMILES[Pt+2].[Pt+2].[c-]1ccccc1-c1nccs1.[c-]1ccccc1-c1nccs1.c1ccc2c(c1)[n-]c1ncccc12.c1ccc2c(c1)[n-]c1ncccc12
InChIInChI=1S/2C11H7N2.2C9H6NS.2Pt/c2*1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;2*1-2-4-8(5-3-1)9-10-6-7-11-9;;/h2*1-7H;2*1-4,6-7H;;/q4*-1;2*+2
InChIKeyQXIMEUJKAVNKPP-UHFFFAOYSA-N
XLogP9.91
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001044.98
LogP ≤ 59.91
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

3-[2-(1-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]-1-methyl-1H-pyrrolo[2,3-b]pyridine
CID 60147980
4-(1-Methylindol-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
CID 155809792
2-[5-Fluoro-1-(4-piperidin-1-ylbutyl)indol-3-yl]-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole;hydrobromide
CID 168287387
2-[5-Fluoro-1-(4-piperidin-1-ylbutyl)indol-3-yl]-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
CID 155815191
2-[5-Fluoro-1-(3-piperidin-1-ylpropyl)indol-3-yl]-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
CID 155815426
4-(1-Methylpyrrolo[2,3-b]pyridin-3-yl)-2-[1-(4-piperidin-1-ylbutyl)indol-3-yl]-1,3-thiazole
CID 155812157
4-(1-Methylpyrrolo[2,3-b]pyridin-3-yl)-2-[1-(3-piperidin-1-ylpropyl)indol-3-yl]-1,3-thiazole
CID 155813254
9-(5-Pyrido[2,3-b]indol-9-ylthiophen-2-yl)pyrido[2,3-b]indole
CID 122381679
Bis(copper(1+));bis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);diperchlorate
CID 139170064
7-[4-[4-(3-Thiophen-2-ylimidazo[4,5-b]pyridin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 21356990
2-[9,10,12,21,22,23,24-Heptakis([1,3]thiazolo[4,5-b]pyridin-2-yl)-3,15-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8(13),9,11,14(19),15,17,21,23-dodecaen-11-yl]-[1,3]thiazolo[4,5-b]pyridine
CID 58978768
CID 59358145
CID 59358145

Frequently Asked Questions

What is the IUPAC name of bis(2-phenyl-1,3-thiazole);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide)?
The IUPAC name of bis(2-phenyl-1,3-thiazole);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide) (CID 176621935) is bis(2-phenyl-1,3-thiazole);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide).
What is the SMILES notation for bis(2-phenyl-1,3-thiazole);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide)?
The canonical SMILES for bis(2-phenyl-1,3-thiazole);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide) is [Pt+2].[Pt+2].[c-]1ccccc1-c1nccs1.[c-]1ccccc1-c1nccs1.c1ccc2c(c1)[n-]c1ncccc12.c1ccc2c(c1)[n-]c1ncccc12.
What is the InChIKey of bis(2-phenyl-1,3-thiazole);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide)?
The InChIKey is QXIMEUJKAVNKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H7N2.2C9H6NS.2Pt/c2*1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;2*1-2-4-8(5-3-1)9-10-6-7-11-9;;/h2*1-7H;2*1-4,6-7H;;/q4*-1;2*+2.
What are the key properties of bis(2-phenyl-1,3-thiazole);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide)?
bis(2-phenyl-1,3-thiazole);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide) has a molecular weight of 1044.98 g/mol, XLogP of 9.91, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-phenyl-1,3-thiazole);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide) is sourced from PubChem (CID 176621935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).