3-[9-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-phenyl-2H-carbazol-2-ide;platinum

C41H26N3Pt- — CID 156677889

About 3-[9-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-phenyl-2H-carbazol-2-ide;platinum

3-[9-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-phenyl-2H-carbazol-2-ide;platinum (PubChem CID 156677889) has the molecular formula C41H26N3Pt- and a molecular weight of 755.76 g/mol. Its IUPAC name is 3-[9-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-phenyl-2H-carbazol-2-ide;platinum.

Molecular Properties

• Compound Name: 3-[9-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-phenyl-2H-carbazol-2-ide;platinum
• PubChem CID: 156677889
• Molecular Formula: C41H26N3Pt-
• Molecular Weight: 755.76 g/mol
• Exact Mass: 755.18
• IUPAC Name: 3-[9-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-phenyl-2H-carbazol-2-ide;platinum
• SMILES: C[N+]1=C=[N+](c2[c-]c(C3(c4[c-]cc5c(c4)c4ccccc4n5-c4[c-]cccc4)c4ccccc4-c4ccccc43)ccc2)C=C1.[Pt]
• InChI: InChI=1S/C41H26N3.Pt/c1-42-24-25-43(28-42)32-15-11-12-29(26-32)41(37-19-8-5-16-33(37)34-17-6-9-20-38(34)41)30-22-23-40-36(27-30)35-18-7-10-21-39(35)44(40)31-13-3-2-4-14-31;/h2-13,15-21,23-25,27H,1H3;/q-1
• InChIKey: NMWACKJIAPLWPA-UHFFFAOYSA-N
• XLogP: 8.49
• TPSA: 10.95 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	755.76
LogP ≤ 5	8.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[9-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-phenyl-2H-carbazol-2-ide;platinum?

The IUPAC name of 3-[9-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-phenyl-2H-carbazol-2-ide;platinum (CID 156677889) is 3-[9-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-phenyl-2H-carbazol-2-ide;platinum.

What is the SMILES notation for 3-[9-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-phenyl-2H-carbazol-2-ide;platinum?

The canonical SMILES for 3-[9-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-phenyl-2H-carbazol-2-ide;platinum is C[N+]1=C=[N+](c2[c-]c(C3(c4[c-]cc5c(c4)c4ccccc4n5-c4[c-]cccc4)c4ccccc4-c4ccccc43)ccc2)C=C1.[Pt].

What is the InChIKey of 3-[9-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-phenyl-2H-carbazol-2-ide;platinum?

The InChIKey is NMWACKJIAPLWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N3.Pt/c1-42-24-25-43(28-42)32-15-11-12-29(26-32)41(37-19-8-5-16-33(37)34-17-6-9-20-38(34)41)30-22-23-40-36(27-30)35-18-7-10-21-39(35)44(40)31-13-3-2-4-14-31;/h2-13,15-21,23-25,27H,1H3;/q-1;.

What are the key properties of 3-[9-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-phenyl-2H-carbazol-2-ide;platinum?

3-[9-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-phenyl-2H-carbazol-2-ide;platinum has a molecular weight of 755.76 g/mol, XLogP of 8.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-phenyl-2H-carbazol-2-ide;platinum is sourced from PubChem (CID 156677889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).