3-[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]methyl]-9-phenyl-2H-carbazol-2-ide;platinum(4+)

C29H21N3Pt — CID 166011641

About 3-[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]methyl]-9-phenyl-2H-carbazol-2-ide;platinum(4+)

3-[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]methyl]-9-phenyl-2H-carbazol-2-ide;platinum(4+) (PubChem CID 166011641) has the molecular formula C29H21N3Pt and a molecular weight of 606.59 g/mol. Its IUPAC name is 3-[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]methyl]-9-phenyl-2H-carbazol-2-ide;platinum(4+).

Molecular Properties

• Compound Name: 3-[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]methyl]-9-phenyl-2H-carbazol-2-ide;platinum(4+)
• PubChem CID: 166011641
• Molecular Formula: C29H21N3Pt
• Molecular Weight: 606.59 g/mol
• Exact Mass: 606.14
• IUPAC Name: 3-[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]methyl]-9-phenyl-2H-carbazol-2-ide;platinum(4+)
• SMILES: CN1C=CN(c2[c-]c(Cc3[c-]cc4c(c3)c3ccccc3n4-c3[c-]cccc3)ccc2)[CH-]1.[Pt+4]
• InChI: InChI=1S/C29H21N3.Pt/c1-30-16-17-31(21-30)25-11-7-8-22(19-25)18-23-14-15-29-27(20-23)26-12-5-6-13-28(26)32(29)24-9-3-2-4-10-24;/h2-9,11-13,15-17,20-21H,18H2,1H3;/q-4;+4
• InChIKey: YRWCDPNAASZVOR-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.59
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]methyl]-9-phenyl-2H-carbazol-2-ide;platinum(4+)?

The IUPAC name of 3-[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]methyl]-9-phenyl-2H-carbazol-2-ide;platinum(4+) (CID 166011641) is 3-[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]methyl]-9-phenyl-2H-carbazol-2-ide;platinum(4+).

What is the SMILES notation for 3-[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]methyl]-9-phenyl-2H-carbazol-2-ide;platinum(4+)?

The canonical SMILES for 3-[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]methyl]-9-phenyl-2H-carbazol-2-ide;platinum(4+) is CN1C=CN(c2[c-]c(Cc3[c-]cc4c(c3)c3ccccc3n4-c3[c-]cccc3)ccc2)[CH-]1.[Pt+4].

What is the InChIKey of 3-[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]methyl]-9-phenyl-2H-carbazol-2-ide;platinum(4+)?

The InChIKey is YRWCDPNAASZVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3.Pt/c1-30-16-17-31(21-30)25-11-7-8-22(19-25)18-23-14-15-29-27(20-23)26-12-5-6-13-28(26)32(29)24-9-3-2-4-10-24;/h2-9,11-13,15-17,20-21H,18H2,1H3;/q-4;+4.

What are the key properties of 3-[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]methyl]-9-phenyl-2H-carbazol-2-ide;platinum(4+)?

3-[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]methyl]-9-phenyl-2H-carbazol-2-ide;platinum(4+) has a molecular weight of 606.59 g/mol, XLogP of 6.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]methyl]-9-phenyl-2H-carbazol-2-ide;platinum(4+) is sourced from PubChem (CID 166011641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).