bis(2-(4-fluorobenzene-6-id-1-yl)pyridine);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide)

C44H28F2N6Pt2 — CID 176621893

IUPACbis(2-(4-fluorobenzene-6-id-1-yl)pyridine);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide)
SMILESFc1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)cc1.[Pt+2].[Pt+2].c1ccc2c(c1)[n-]c1ncccc12.c1ccc2c(c1)[n-]c1ncccc12
InChIInChI=1S/2C11H7FN.2C11H7N2.2Pt/c2*12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;2*1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;;/h2*1-4,6-8H;2*1-7H;;/q4*-1;2*+2
InChIKeyOZHCLSMFGTWVDB-UHFFFAOYSA-N
MW1068.90 g/mol
LogP10.06
Rot. Bonds2

About bis(2-(4-fluorobenzene-6-id-1-yl)pyridine);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide)

bis(2-(4-fluorobenzene-6-id-1-yl)pyridine);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide) (PubChem CID 176621893) has the molecular formula C44H28F2N6Pt2 and a molecular weight of 1068.90 g/mol. Its IUPAC name is bis(2-(4-fluorobenzene-6-id-1-yl)pyridine);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide).

Molecular Properties

Compound Namebis(2-(4-fluorobenzene-6-id-1-yl)pyridine);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide)
PubChem CID176621893
Molecular FormulaC44H28F2N6Pt2
Molecular Weight1068.90 g/mol
Exact Mass1068.16
IUPAC Namebis(2-(4-fluorobenzene-6-id-1-yl)pyridine);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide)
SMILESFc1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)cc1.[Pt+2].[Pt+2].c1ccc2c(c1)[n-]c1ncccc12.c1ccc2c(c1)[n-]c1ncccc12
InChIInChI=1S/2C11H7FN.2C11H7N2.2Pt/c2*12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;2*1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;;/h2*1-4,6-8H;2*1-7H;;/q4*-1;2*+2
InChIKeyOZHCLSMFGTWVDB-UHFFFAOYSA-N
XLogP10.06
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms54
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001068.90
LogP ≤ 510.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-(4-fluorobenzene-6-id-1-yl)pyridine);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide)?
The IUPAC name of bis(2-(4-fluorobenzene-6-id-1-yl)pyridine);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide) (CID 176621893) is bis(2-(4-fluorobenzene-6-id-1-yl)pyridine);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide).
What is the SMILES notation for bis(2-(4-fluorobenzene-6-id-1-yl)pyridine);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide)?
The canonical SMILES for bis(2-(4-fluorobenzene-6-id-1-yl)pyridine);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide) is Fc1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)cc1.[Pt+2].[Pt+2].c1ccc2c(c1)[n-]c1ncccc12.c1ccc2c(c1)[n-]c1ncccc12.
What is the InChIKey of bis(2-(4-fluorobenzene-6-id-1-yl)pyridine);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide)?
The InChIKey is OZHCLSMFGTWVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H7FN.2C11H7N2.2Pt/c2*12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;2*1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;;/h2*1-4,6-8H;2*1-7H;;/q4*-1;2*+2.
What are the key properties of bis(2-(4-fluorobenzene-6-id-1-yl)pyridine);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide)?
bis(2-(4-fluorobenzene-6-id-1-yl)pyridine);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide) has a molecular weight of 1068.90 g/mol, XLogP of 10.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(4-fluorobenzene-6-id-1-yl)pyridine);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide) is sourced from PubChem (CID 176621893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).