2-(5-phenylimidazo[1,2-a]imidazol-7-yl)-9-[3-(5-phenylimidazo[1,2-a]imidazol-7-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)

C40H25N7Pt — CID 169077365

About 2-(5-phenylimidazo[1,2-a]imidazol-7-yl)-9-[3-(5-phenylimidazo[1,2-a]imidazol-7-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)

2-(5-phenylimidazo[1,2-a]imidazol-7-yl)-9-[3-(5-phenylimidazo[1,2-a]imidazol-7-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 169077365) has the molecular formula C40H25N7Pt and a molecular weight of 798.77 g/mol. Its IUPAC name is 2-(5-phenylimidazo[1,2-a]imidazol-7-yl)-9-[3-(5-phenylimidazo[1,2-a]imidazol-7-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-(5-phenylimidazo[1,2-a]imidazol-7-yl)-9-[3-(5-phenylimidazo[1,2-a]imidazol-7-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 169077365
• Molecular Formula: C40H25N7Pt
• Molecular Weight: 798.77 g/mol
• Exact Mass: 798.18
• IUPAC Name: 2-(5-phenylimidazo[1,2-a]imidazol-7-yl)-9-[3-(5-phenylimidazo[1,2-a]imidazol-7-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
• SMILES: [Pt+2].[c-]1c(-n2cc(-c3ccccc3)n3ccnc23)cccc1-n1c2[c-]c(-n3cc(-c4ccccc4)n4ccnc34)ccc2c2ccccc21
• InChI: InChI=1S/C40H25N7.Pt/c1-3-10-28(11-4-1)37-26-45(39-41-20-22-43(37)39)30-14-9-15-32(24-30)47-35-17-8-7-16-33(35)34-19-18-31(25-36(34)47)46-27-38(29-12-5-2-6-13-29)44-23-21-42-40(44)46;/h1-23,26-27H;/q-2;+2
• InChIKey: XHXJDSMCDZAZKT-UHFFFAOYSA-N
• XLogP: 8.59
• TPSA: 49.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	798.77
LogP ≤ 5	8.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenylimidazo[1,2-a]imidazol-7-yl)-9-[3-(5-phenylimidazo[1,2-a]imidazol-7-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-(5-phenylimidazo[1,2-a]imidazol-7-yl)-9-[3-(5-phenylimidazo[1,2-a]imidazol-7-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) (CID 169077365) is 2-(5-phenylimidazo[1,2-a]imidazol-7-yl)-9-[3-(5-phenylimidazo[1,2-a]imidazol-7-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-(5-phenylimidazo[1,2-a]imidazol-7-yl)-9-[3-(5-phenylimidazo[1,2-a]imidazol-7-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-(5-phenylimidazo[1,2-a]imidazol-7-yl)-9-[3-(5-phenylimidazo[1,2-a]imidazol-7-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) is [Pt+2].[c-]1c(-n2cc(-c3ccccc3)n3ccnc23)cccc1-n1c2[c-]c(-n3cc(-c4ccccc4)n4ccnc34)ccc2c2ccccc21.

What is the InChIKey of 2-(5-phenylimidazo[1,2-a]imidazol-7-yl)-9-[3-(5-phenylimidazo[1,2-a]imidazol-7-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is XHXJDSMCDZAZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N7.Pt/c1-3-10-28(11-4-1)37-26-45(39-41-20-22-43(37)39)30-14-9-15-32(24-30)47-35-17-8-7-16-33(35)34-19-18-31(25-36(34)47)46-27-38(29-12-5-2-6-13-29)44-23-21-42-40(44)46;/h1-23,26-27H;/q-2;+2.

What are the key properties of 2-(5-phenylimidazo[1,2-a]imidazol-7-yl)-9-[3-(5-phenylimidazo[1,2-a]imidazol-7-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)?

2-(5-phenylimidazo[1,2-a]imidazol-7-yl)-9-[3-(5-phenylimidazo[1,2-a]imidazol-7-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 798.77 g/mol, XLogP of 8.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-phenylimidazo[1,2-a]imidazol-7-yl)-9-[3-(5-phenylimidazo[1,2-a]imidazol-7-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 169077365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).