2-[3-[(3-indazol-2-ylbenzene-2-id-1-yl)-diphenylmethyl]benzene-2-id-1-yl]indazole;platinum(2+)

C39H26N4Pt — CID 58704331

About 2-[3-[(3-indazol-2-ylbenzene-2-id-1-yl)-diphenylmethyl]benzene-2-id-1-yl]indazole;platinum(2+)

2-[3-[(3-indazol-2-ylbenzene-2-id-1-yl)-diphenylmethyl]benzene-2-id-1-yl]indazole;platinum(2+) (PubChem CID 58704331) has the molecular formula C39H26N4Pt and a molecular weight of 745.74 g/mol. Its IUPAC name is 2-[3-[(3-indazol-2-ylbenzene-2-id-1-yl)-diphenylmethyl]benzene-2-id-1-yl]indazole;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[(3-indazol-2-ylbenzene-2-id-1-yl)-diphenylmethyl]benzene-2-id-1-yl]indazole;platinum(2+)
• PubChem CID: 58704331
• Molecular Formula: C39H26N4Pt
• Molecular Weight: 745.74 g/mol
• Exact Mass: 745.18
• IUPAC Name: 2-[3-[(3-indazol-2-ylbenzene-2-id-1-yl)-diphenylmethyl]benzene-2-id-1-yl]indazole;platinum(2+)
• SMILES: [Pt+2].[c-]1c(-n2cc3ccccc3n2)cccc1C(c1[c-]c(-n2cc3ccccc3n2)ccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C39H26N4.Pt/c1-3-15-31(16-4-1)39(32-17-5-2-6-18-32,33-19-11-21-35(25-33)42-27-29-13-7-9-23-37(29)40-42)34-20-12-22-36(26-34)43-28-30-14-8-10-24-38(30)41-43;/h1-24,27-28H;/q-2;+2
• InChIKey: KVGVIPHSTGRHFA-UHFFFAOYSA-N
• XLogP: 8.34
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	745.74
LogP ≤ 5	8.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-indazol-2-ylbenzene-2-id-1-yl)-diphenylmethyl]benzene-2-id-1-yl]indazole;platinum(2+)?

The IUPAC name of 2-[3-[(3-indazol-2-ylbenzene-2-id-1-yl)-diphenylmethyl]benzene-2-id-1-yl]indazole;platinum(2+) (CID 58704331) is 2-[3-[(3-indazol-2-ylbenzene-2-id-1-yl)-diphenylmethyl]benzene-2-id-1-yl]indazole;platinum(2+).

What is the SMILES notation for 2-[3-[(3-indazol-2-ylbenzene-2-id-1-yl)-diphenylmethyl]benzene-2-id-1-yl]indazole;platinum(2+)?

The canonical SMILES for 2-[3-[(3-indazol-2-ylbenzene-2-id-1-yl)-diphenylmethyl]benzene-2-id-1-yl]indazole;platinum(2+) is [Pt+2].[c-]1c(-n2cc3ccccc3n2)cccc1C(c1[c-]c(-n2cc3ccccc3n2)ccc1)(c1ccccc1)c1ccccc1.

What is the InChIKey of 2-[3-[(3-indazol-2-ylbenzene-2-id-1-yl)-diphenylmethyl]benzene-2-id-1-yl]indazole;platinum(2+)?

The InChIKey is KVGVIPHSTGRHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N4.Pt/c1-3-15-31(16-4-1)39(32-17-5-2-6-18-32,33-19-11-21-35(25-33)42-27-29-13-7-9-23-37(29)40-42)34-20-12-22-36(26-34)43-28-30-14-8-10-24-38(30)41-43;/h1-24,27-28H;/q-2;+2.

What are the key properties of 2-[3-[(3-indazol-2-ylbenzene-2-id-1-yl)-diphenylmethyl]benzene-2-id-1-yl]indazole;platinum(2+)?

2-[3-[(3-indazol-2-ylbenzene-2-id-1-yl)-diphenylmethyl]benzene-2-id-1-yl]indazole;platinum(2+) has a molecular weight of 745.74 g/mol, XLogP of 8.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(3-indazol-2-ylbenzene-2-id-1-yl)-diphenylmethyl]benzene-2-id-1-yl]indazole;platinum(2+) is sourced from PubChem (CID 58704331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).