9-[3-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]benzene-2-id-1-yl]pyrido[2,3-b]indole;platinum

C30H20N5OPt-3 — CID 168848405

About 9-[3-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]benzene-2-id-1-yl]pyrido[2,3-b]indole;platinum

9-[3-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]benzene-2-id-1-yl]pyrido[2,3-b]indole;platinum (PubChem CID 168848405) has the molecular formula C30H20N5OPt-3 and a molecular weight of 661.60 g/mol. Its IUPAC name is 9-[3-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]benzene-2-id-1-yl]pyrido[2,3-b]indole;platinum.

Molecular Properties

• Compound Name: 9-[3-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]benzene-2-id-1-yl]pyrido[2,3-b]indole;platinum
• PubChem CID: 168848405
• Molecular Formula: C30H20N5OPt-3
• Molecular Weight: 661.60 g/mol
• Exact Mass: 661.13
• IUPAC Name: 9-[3-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]benzene-2-id-1-yl]pyrido[2,3-b]indole;platinum
• SMILES: CN1[CH-]N(c2[c-]c(Oc3[c-]c(-n4c5ccccc5c5cccnc54)ccc3)ncc2)c2ccccc21.[Pt]
• InChI: InChI=1S/C30H20N5O.Pt/c1-33-20-34(28-14-5-4-13-27(28)33)21-15-17-31-29(19-21)36-23-9-6-8-22(18-23)35-26-12-3-2-10-24(26)25-11-7-16-32-30(25)35;/h2-17,20H,1H3;/q-3
• InChIKey: BFZASJHXGCOXMV-UHFFFAOYSA-N
• XLogP: 6.67
• TPSA: 46.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	661.60
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[3-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]benzene-2-id-1-yl]pyrido[2,3-b]indole;platinum?

The IUPAC name of 9-[3-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]benzene-2-id-1-yl]pyrido[2,3-b]indole;platinum (CID 168848405) is 9-[3-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]benzene-2-id-1-yl]pyrido[2,3-b]indole;platinum.

What is the SMILES notation for 9-[3-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]benzene-2-id-1-yl]pyrido[2,3-b]indole;platinum?

The canonical SMILES for 9-[3-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]benzene-2-id-1-yl]pyrido[2,3-b]indole;platinum is CN1[CH-]N(c2[c-]c(Oc3[c-]c(-n4c5ccccc5c5cccnc54)ccc3)ncc2)c2ccccc21.[Pt].

What is the InChIKey of 9-[3-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]benzene-2-id-1-yl]pyrido[2,3-b]indole;platinum?

The InChIKey is BFZASJHXGCOXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N5O.Pt/c1-33-20-34(28-14-5-4-13-27(28)33)21-15-17-31-29(19-21)36-23-9-6-8-22(18-23)35-26-12-3-2-10-24(26)25-11-7-16-32-30(25)35;/h2-17,20H,1H3;/q-3;.

What are the key properties of 9-[3-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]benzene-2-id-1-yl]pyrido[2,3-b]indole;platinum?

9-[3-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]benzene-2-id-1-yl]pyrido[2,3-b]indole;platinum has a molecular weight of 661.60 g/mol, XLogP of 6.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]oxy]benzene-2-id-1-yl]pyrido[2,3-b]indole;platinum is sourced from PubChem (CID 168848405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).