2-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

C40H27N4Pt-3 — CID 169042836

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

2-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (PubChem CID 169042836) has the molecular formula C40H27N4Pt-3 and a molecular weight of 758.76 g/mol. Its IUPAC name is 2-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• PubChem CID: 169042836
• Molecular Formula: C40H27N4Pt-3
• Molecular Weight: 758.76 g/mol
• Exact Mass: 758.19
• IUPAC Name: 2-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• SMILES: CN1C=CN(c2[c-]c(C3(c4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)c4ccccc4-c4ccccc43)ccc2)[CH-]1.[Pt]
• InChI: InChI=1S/C40H27N4.Pt/c1-42-23-24-43(27-42)30-12-10-11-28(25-30)40(35-16-5-2-13-31(35)32-14-3-6-17-36(32)40)29-20-21-34-33-15-4-7-18-37(33)44(38(34)26-29)39-19-8-9-22-41-39;/h2-24,27H,1H3;/q-3
• InChIKey: BSOHEGIJINEDAR-UHFFFAOYSA-N
• XLogP: 8.48
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	758.76
LogP ≤ 5	8.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (CID 169042836) is 2-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is CN1C=CN(c2[c-]c(C3(c4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)c4ccccc4-c4ccccc43)ccc2)[CH-]1.[Pt].

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

The InChIKey is BSOHEGIJINEDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N4.Pt/c1-42-23-24-43(27-42)30-12-10-11-28(25-30)40(35-16-5-2-13-31(35)32-14-3-6-17-36(32)40)29-20-21-34-33-15-4-7-18-37(33)44(38(34)26-29)39-19-8-9-22-41-39;/h2-24,27H,1H3;/q-3;.

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

2-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum has a molecular weight of 758.76 g/mol, XLogP of 8.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 169042836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).