2-[9-[3-(3-methylimidazole-1,3-diium-1-yl)phenyl]fluoren-9-yl]-9-pyridin-2-ylcarbazole

C40H28N4+2 — CID 170671337

About 2-[9-[3-(3-methylimidazole-1,3-diium-1-yl)phenyl]fluoren-9-yl]-9-pyridin-2-ylcarbazole

2-[9-[3-(3-methylimidazole-1,3-diium-1-yl)phenyl]fluoren-9-yl]-9-pyridin-2-ylcarbazole (PubChem CID 170671337) has the molecular formula C40H28N4+2 and a molecular weight of 564.69 g/mol. Its IUPAC name is 2-[9-[3-(3-methylimidazole-1,3-diium-1-yl)phenyl]fluoren-9-yl]-9-pyridin-2-ylcarbazole.

Molecular Properties

• Compound Name: 2-[9-[3-(3-methylimidazole-1,3-diium-1-yl)phenyl]fluoren-9-yl]-9-pyridin-2-ylcarbazole
• PubChem CID: 170671337
• Molecular Formula: C40H28N4+2
• Molecular Weight: 564.69 g/mol
• Exact Mass: 564.23
• IUPAC Name: 2-[9-[3-(3-methylimidazole-1,3-diium-1-yl)phenyl]fluoren-9-yl]-9-pyridin-2-ylcarbazole
• SMILES: C[N+]1=C=[N+](c2cccc(C3(c4ccc5c6ccccc6n(-c6ccccn6)c5c4)c4ccccc4-c4ccccc43)c2)C=C1
• InChI: InChI=1S/C40H28N4/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/h2-26H,1H3/q+2
• InChIKey: UCDQVBWCPVDIJD-UHFFFAOYSA-N
• XLogP: 8.49
• TPSA: 23.84 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.69
LogP ≤ 5	8.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-(3-methylimidazole-1,3-diium-1-yl)phenyl]fluoren-9-yl]-9-pyridin-2-ylcarbazole?

The IUPAC name of 2-[9-[3-(3-methylimidazole-1,3-diium-1-yl)phenyl]fluoren-9-yl]-9-pyridin-2-ylcarbazole (CID 170671337) is 2-[9-[3-(3-methylimidazole-1,3-diium-1-yl)phenyl]fluoren-9-yl]-9-pyridin-2-ylcarbazole.

What is the SMILES notation for 2-[9-[3-(3-methylimidazole-1,3-diium-1-yl)phenyl]fluoren-9-yl]-9-pyridin-2-ylcarbazole?

The canonical SMILES for 2-[9-[3-(3-methylimidazole-1,3-diium-1-yl)phenyl]fluoren-9-yl]-9-pyridin-2-ylcarbazole is C[N+]1=C=[N+](c2cccc(C3(c4ccc5c6ccccc6n(-c6ccccn6)c5c4)c4ccccc4-c4ccccc43)c2)C=C1.

What is the InChIKey of 2-[9-[3-(3-methylimidazole-1,3-diium-1-yl)phenyl]fluoren-9-yl]-9-pyridin-2-ylcarbazole?

The InChIKey is UCDQVBWCPVDIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N4/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/h2-26H,1H3/q+2.

What are the key properties of 2-[9-[3-(3-methylimidazole-1,3-diium-1-yl)phenyl]fluoren-9-yl]-9-pyridin-2-ylcarbazole?

2-[9-[3-(3-methylimidazole-1,3-diium-1-yl)phenyl]fluoren-9-yl]-9-pyridin-2-ylcarbazole has a molecular weight of 564.69 g/mol, XLogP of 8.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-[3-(3-methylimidazole-1,3-diium-1-yl)phenyl]fluoren-9-yl]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 170671337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).