bis((3-azanidyl-2-hydroxypropyl)azanide);diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;2,2,2-trifluoroacetate

C42H50F3I3N10O6Pt2-3 — CID 159658679

About bis((3-azanidyl-2-hydroxypropyl)azanide);diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;2,2,2-trifluoroacetate

bis((3-azanidyl-2-hydroxypropyl)azanide);diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;2,2,2-trifluoroacetate (PubChem CID 159658679) has the molecular formula C42H50F3I3N10O6Pt2-3 and a molecular weight of 1618.79 g/mol. Its IUPAC name is bis((3-azanidyl-2-hydroxypropyl)azanide);diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;2,2,2-trifluoroacetate.

Molecular Properties

• Compound Name: bis((3-azanidyl-2-hydroxypropyl)azanide);diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;2,2,2-trifluoroacetate
• PubChem CID: 159658679
• Molecular Formula: C42H50F3I3N10O6Pt2-3
• Molecular Weight: 1618.79 g/mol
• Exact Mass: 1618.03
• IUPAC Name: bis((3-azanidyl-2-hydroxypropyl)azanide);diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;2,2,2-trifluoroacetate
• SMILES: I[Pt+2]I.I[Pt].O=C(Cc1ccncc1)NCCc1c[nH]c2ccccc12.O=C(Cc1ccncc1)NCCc1c[nH]c2ccccc12.O=C([O-])C(F)(F)F.[NH-]CC(O)C[NH-].[NH-]CC(O)C[NH-]
• InChI: InChI=1S/2C17H17N3O.2C3H8N2O.C2HF3O2.3HI.2Pt/c2*21-17(11-13-5-8-18-9-6-13)19-10-7-14-12-20-16-4-2-1-3-15(14)16;2*4-1-3(6)2-5;3-2(4,5)1(6)7;;;;;/h2*1-6,8-9,12,20H,7,10-11H2,(H,19,21);2*3-6H,1-2H2;(H,6,7);3*1H;;/q;;2*-2;;;;;+1;+4/p-4
• InChIKey: SEYMBZLUQAWCQL-UHFFFAOYSA-J
• XLogP: 7.78
• TPSA: 291.35 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1618.79
LogP ≤ 5	7.78
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis((3-azanidyl-2-hydroxypropyl)azanide);diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;2,2,2-trifluoroacetate?

The IUPAC name of bis((3-azanidyl-2-hydroxypropyl)azanide);diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;2,2,2-trifluoroacetate (CID 159658679) is bis((3-azanidyl-2-hydroxypropyl)azanide);diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;2,2,2-trifluoroacetate.

What is the SMILES notation for bis((3-azanidyl-2-hydroxypropyl)azanide);diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;2,2,2-trifluoroacetate?

The canonical SMILES for bis((3-azanidyl-2-hydroxypropyl)azanide);diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;2,2,2-trifluoroacetate is I[Pt+2]I.I[Pt].O=C(Cc1ccncc1)NCCc1c[nH]c2ccccc12.O=C(Cc1ccncc1)NCCc1c[nH]c2ccccc12.O=C([O-])C(F)(F)F.[NH-]CC(O)C[NH-].[NH-]CC(O)C[NH-].

What is the InChIKey of bis((3-azanidyl-2-hydroxypropyl)azanide);diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;2,2,2-trifluoroacetate?

The InChIKey is SEYMBZLUQAWCQL-UHFFFAOYSA-J. The full InChI is InChI=1S/2C17H17N3O.2C3H8N2O.C2HF3O2.3HI.2Pt/c2*21-17(11-13-5-8-18-9-6-13)19-10-7-14-12-20-16-4-2-1-3-15(14)16;2*4-1-3(6)2-5;3-2(4,5)1(6)7;;;;;/h2*1-6,8-9,12,20H,7,10-11H2,(H,19,21);2*3-6H,1-2H2;(H,6,7);3*1H;;/q;;2*-2;;;;;+1;+4/p-4.

What are the key properties of bis((3-azanidyl-2-hydroxypropyl)azanide);diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;2,2,2-trifluoroacetate?

bis((3-azanidyl-2-hydroxypropyl)azanide);diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;2,2,2-trifluoroacetate has a molecular weight of 1618.79 g/mol, XLogP of 7.78, 14 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis((3-azanidyl-2-hydroxypropyl)azanide);diiodoplatinum(2+);bis(N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide);iodoplatinum;2,2,2-trifluoroacetate is sourced from PubChem (CID 159658679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).