2-[2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-9H-fluoren-9-yl]-9-pyridin-2-ylcarbazole

C34H24N4 — CID 140601176

About 2-[2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-9H-fluoren-9-yl]-9-pyridin-2-ylcarbazole

2-[2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-9H-fluoren-9-yl]-9-pyridin-2-ylcarbazole (PubChem CID 140601176) has the molecular formula C34H24N4 and a molecular weight of 488.59 g/mol. Its IUPAC name is 2-[2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-9H-fluoren-9-yl]-9-pyridin-2-ylcarbazole.

Molecular Properties

• Compound Name: 2-[2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-9H-fluoren-9-yl]-9-pyridin-2-ylcarbazole
• PubChem CID: 140601176
• Molecular Formula: C34H24N4
• Molecular Weight: 488.59 g/mol
• Exact Mass: 488.20
• IUPAC Name: 2-[2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-9H-fluoren-9-yl]-9-pyridin-2-ylcarbazole
• SMILES: C[n+]1[c-]n(-c2ccc3c(c2)C(c2ccc4c5ccccc5n(-c5ccccn5)c4c2)c2ccccc2-3)cc1
• InChI: InChI=1S/C34H24N4/c1-36-18-19-37(22-36)24-14-16-26-25-8-2-3-10-29(25)34(30(26)21-24)23-13-15-28-27-9-4-5-11-31(27)38(32(28)20-23)33-12-6-7-17-35-33/h2-21,34H,1H3
• InChIKey: PXXYCFHZMBBHSH-UHFFFAOYSA-N
• XLogP: 6.75
• TPSA: 26.63 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.59
LogP ≤ 5	6.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 2-[2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-9H-fluoren-9-yl]-9-pyridin-2-ylcarbazole?

The IUPAC name of 2-[2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-9H-fluoren-9-yl]-9-pyridin-2-ylcarbazole (CID 140601176) is 2-[2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-9H-fluoren-9-yl]-9-pyridin-2-ylcarbazole.

What is the SMILES notation for 2-[2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-9H-fluoren-9-yl]-9-pyridin-2-ylcarbazole?

The canonical SMILES for 2-[2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-9H-fluoren-9-yl]-9-pyridin-2-ylcarbazole is C[n+]1[c-]n(-c2ccc3c(c2)C(c2ccc4c5ccccc5n(-c5ccccn5)c4c2)c2ccccc2-3)cc1.

What is the InChIKey of 2-[2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-9H-fluoren-9-yl]-9-pyridin-2-ylcarbazole?

The InChIKey is PXXYCFHZMBBHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N4/c1-36-18-19-37(22-36)24-14-16-26-25-8-2-3-10-29(25)34(30(26)21-24)23-13-15-28-27-9-4-5-11-31(27)38(32(28)20-23)33-12-6-7-17-35-33/h2-21,34H,1H3.

What are the key properties of 2-[2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-9H-fluoren-9-yl]-9-pyridin-2-ylcarbazole?

2-[2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-9H-fluoren-9-yl]-9-pyridin-2-ylcarbazole has a molecular weight of 488.59 g/mol, XLogP of 6.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-9H-fluoren-9-yl]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 140601176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).