bis(N,N-dimethylpyrido[2,3-b]indol-9-id-2-amine);bis(2-phenyl-1,3-thiazole);bis(platinum(2+))

C44H36N8Pt2S2 — CID 176621869

About bis(N,N-dimethylpyrido[2,3-b]indol-9-id-2-amine);bis(2-phenyl-1,3-thiazole);bis(platinum(2+))

bis(N,N-dimethylpyrido[2,3-b]indol-9-id-2-amine);bis(2-phenyl-1,3-thiazole);bis(platinum(2+)) (PubChem CID 176621869) has the molecular formula C44H36N8Pt2S2 and a molecular weight of 1131.12 g/mol. Its IUPAC name is bis(N,N-dimethylpyrido[2,3-b]indol-9-id-2-amine);bis(2-phenyl-1,3-thiazole);bis(platinum(2+)).

Molecular Properties

• Compound Name: bis(N,N-dimethylpyrido[2,3-b]indol-9-id-2-amine);bis(2-phenyl-1,3-thiazole);bis(platinum(2+))
• PubChem CID: 176621869
• Molecular Formula: C44H36N8Pt2S2
• Molecular Weight: 1131.12 g/mol
• Exact Mass: 1130.18
• IUPAC Name: bis(N,N-dimethylpyrido[2,3-b]indol-9-id-2-amine);bis(2-phenyl-1,3-thiazole);bis(platinum(2+))
• SMILES: CN(C)c1ccc2c(n1)[n-]c1ccccc12.CN(C)c1ccc2c(n1)[n-]c1ccccc12.[Pt+2].[Pt+2].[c-]1ccccc1-c1nccs1.[c-]1ccccc1-c1nccs1
• InChI: InChI=1S/2C13H12N3.2C9H6NS.2Pt/c2*1-16(2)12-8-7-10-9-5-3-4-6-11(9)14-13(10)15-12;2*1-2-4-8(5-3-1)9-10-6-7-11-9;;/h2*3-8H,1-2H3;2*1-4,6-7H;;/q4*-1;2*+2
• InChIKey: QZMOPTHQHDBIAY-UHFFFAOYSA-N
• XLogP: 10.04
• TPSA: 86.24 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1131.12
LogP ≤ 5	10.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(N,N-dimethylpyrido[2,3-b]indol-9-id-2-amine);bis(2-phenyl-1,3-thiazole);bis(platinum(2+))?

The IUPAC name of bis(N,N-dimethylpyrido[2,3-b]indol-9-id-2-amine);bis(2-phenyl-1,3-thiazole);bis(platinum(2+)) (CID 176621869) is bis(N,N-dimethylpyrido[2,3-b]indol-9-id-2-amine);bis(2-phenyl-1,3-thiazole);bis(platinum(2+)).

What is the SMILES notation for bis(N,N-dimethylpyrido[2,3-b]indol-9-id-2-amine);bis(2-phenyl-1,3-thiazole);bis(platinum(2+))?

The canonical SMILES for bis(N,N-dimethylpyrido[2,3-b]indol-9-id-2-amine);bis(2-phenyl-1,3-thiazole);bis(platinum(2+)) is CN(C)c1ccc2c(n1)[n-]c1ccccc12.CN(C)c1ccc2c(n1)[n-]c1ccccc12.[Pt+2].[Pt+2].[c-]1ccccc1-c1nccs1.[c-]1ccccc1-c1nccs1.

What is the InChIKey of bis(N,N-dimethylpyrido[2,3-b]indol-9-id-2-amine);bis(2-phenyl-1,3-thiazole);bis(platinum(2+))?

The InChIKey is QZMOPTHQHDBIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H12N3.2C9H6NS.2Pt/c2*1-16(2)12-8-7-10-9-5-3-4-6-11(9)14-13(10)15-12;2*1-2-4-8(5-3-1)9-10-6-7-11-9;;/h2*3-8H,1-2H3;2*1-4,6-7H;;/q4*-1;2*+2.

What are the key properties of bis(N,N-dimethylpyrido[2,3-b]indol-9-id-2-amine);bis(2-phenyl-1,3-thiazole);bis(platinum(2+))?

bis(N,N-dimethylpyrido[2,3-b]indol-9-id-2-amine);bis(2-phenyl-1,3-thiazole);bis(platinum(2+)) has a molecular weight of 1131.12 g/mol, XLogP of 10.04, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N,N-dimethylpyrido[2,3-b]indol-9-id-2-amine);bis(2-phenyl-1,3-thiazole);bis(platinum(2+)) is sourced from PubChem (CID 176621869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).