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

C48H42N6Pt2S2 — CID 176621976

IUPACbis(2-tert-butylpyrido[2,3-b]indol-9-ide);bis(2-phenyl-1,3-thiazole);bis(platinum(2+))
SMILESCC(C)(C)c1ccc2c(n1)[n-]c1ccccc12.CC(C)(C)c1ccc2c(n1)[n-]c1ccccc12.[Pt+2].[Pt+2].[c-]1ccccc1-c1nccs1.[c-]1ccccc1-c1nccs1
InChIInChI=1S/2C15H15N2.2C9H6NS.2Pt/c2*1-15(2,3)13-9-8-11-10-6-4-5-7-12(10)16-14(11)17-13;2*1-2-4-8(5-3-1)9-10-6-7-11-9;;/h2*4-9H,1-3H3;2*1-4,6-7H;;/q4*-1;2*+2
InChIKeyDRXNSHCEFWJDSA-UHFFFAOYSA-N
MW1157.20 g/mol
LogP12.50
Rot. Bonds2

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

bis(2-tert-butylpyrido[2,3-b]indol-9-ide);bis(2-phenyl-1,3-thiazole);bis(platinum(2+)) (PubChem CID 176621976) has the molecular formula C48H42N6Pt2S2 and a molecular weight of 1157.20 g/mol. Its IUPAC name is bis(2-tert-butylpyrido[2,3-b]indol-9-ide);bis(2-phenyl-1,3-thiazole);bis(platinum(2+)).

Molecular Properties

Compound Namebis(2-tert-butylpyrido[2,3-b]indol-9-ide);bis(2-phenyl-1,3-thiazole);bis(platinum(2+))
PubChem CID176621976
Molecular FormulaC48H42N6Pt2S2
Molecular Weight1157.20 g/mol
Exact Mass1156.22
IUPAC Namebis(2-tert-butylpyrido[2,3-b]indol-9-ide);bis(2-phenyl-1,3-thiazole);bis(platinum(2+))
SMILESCC(C)(C)c1ccc2c(n1)[n-]c1ccccc12.CC(C)(C)c1ccc2c(n1)[n-]c1ccccc12.[Pt+2].[Pt+2].[c-]1ccccc1-c1nccs1.[c-]1ccccc1-c1nccs1
InChIInChI=1S/2C15H15N2.2C9H6NS.2Pt/c2*1-15(2,3)13-9-8-11-10-6-4-5-7-12(10)16-14(11)17-13;2*1-2-4-8(5-3-1)9-10-6-7-11-9;;/h2*4-9H,1-3H3;2*1-4,6-7H;;/q4*-1;2*+2
InChIKeyDRXNSHCEFWJDSA-UHFFFAOYSA-N
XLogP12.50
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001157.20
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(2-tert-butylpyrido[2,3-b]indol-9-ide);bis(2-phenyl-1,3-thiazole);bis(platinum(2+)) with MolForge

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Launch Full Analysis

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
CID 59358400
CID 59358400
CID 59358798
CID 59358798
CID 59358818
CID 59358818

Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butylpyrido[2,3-b]indol-9-ide);bis(2-phenyl-1,3-thiazole);bis(platinum(2+))?
The IUPAC name of bis(2-tert-butylpyrido[2,3-b]indol-9-ide);bis(2-phenyl-1,3-thiazole);bis(platinum(2+)) (CID 176621976) is bis(2-tert-butylpyrido[2,3-b]indol-9-ide);bis(2-phenyl-1,3-thiazole);bis(platinum(2+)).
What is the SMILES notation for bis(2-tert-butylpyrido[2,3-b]indol-9-ide);bis(2-phenyl-1,3-thiazole);bis(platinum(2+))?
The canonical SMILES for bis(2-tert-butylpyrido[2,3-b]indol-9-ide);bis(2-phenyl-1,3-thiazole);bis(platinum(2+)) is CC(C)(C)c1ccc2c(n1)[n-]c1ccccc12.CC(C)(C)c1ccc2c(n1)[n-]c1ccccc12.[Pt+2].[Pt+2].[c-]1ccccc1-c1nccs1.[c-]1ccccc1-c1nccs1.
What is the InChIKey of bis(2-tert-butylpyrido[2,3-b]indol-9-ide);bis(2-phenyl-1,3-thiazole);bis(platinum(2+))?
The InChIKey is DRXNSHCEFWJDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H15N2.2C9H6NS.2Pt/c2*1-15(2,3)13-9-8-11-10-6-4-5-7-12(10)16-14(11)17-13;2*1-2-4-8(5-3-1)9-10-6-7-11-9;;/h2*4-9H,1-3H3;2*1-4,6-7H;;/q4*-1;2*+2.
What are the key properties of bis(2-tert-butylpyrido[2,3-b]indol-9-ide);bis(2-phenyl-1,3-thiazole);bis(platinum(2+))?
bis(2-tert-butylpyrido[2,3-b]indol-9-ide);bis(2-phenyl-1,3-thiazole);bis(platinum(2+)) has a molecular weight of 1157.20 g/mol, XLogP of 12.50, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-tert-butylpyrido[2,3-b]indol-9-ide);bis(2-phenyl-1,3-thiazole);bis(platinum(2+)) is sourced from PubChem (CID 176621976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).