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

C60H41N3 — CID 155614441

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

2-[9-[3-[9-[3-[9-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]pyridine (PubChem CID 155614441) has the molecular formula C60H41N3 and a molecular weight of 804.01 g/mol. Its IUPAC name is 2-[9-[3-[9-[3-[9-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]pyridine.

Molecular Properties

• Compound Name: 2-[9-[3-[9-[3-[9-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]pyridine
• PubChem CID: 155614441
• Molecular Formula: C60H41N3
• Molecular Weight: 804.01 g/mol
• Exact Mass: 803.33
• IUPAC Name: 2-[9-[3-[9-[3-[9-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]pyridine
• SMILES: C[n+]1[c-]n(C2(c3cccc(C4(c5cccc(C6(c7ccccn7)c7ccccc7-c7ccccc76)c5)c5ccccc5-c5ccccc54)c3)c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C60H41N3/c1-62-36-37-63(40-62)60(55-32-12-6-26-49(55)50-27-7-13-33-56(50)60)44-21-17-19-42(39-44)58(51-28-8-2-22-45(51)46-23-3-9-29-52(46)58)41-18-16-20-43(38-41)59(57-34-14-15-35-61-57)53-30-10-4-24-47(53)48-25-5-11-31-54(48)59/h2-39H,1H3
• InChIKey: OEXPJUGCIPPXGK-UHFFFAOYSA-N
• XLogP: 12.05
• TPSA: 21.70 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	804.01
LogP ≤ 5	12.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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

The IUPAC name of 2-[9-[3-[9-[3-[9-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]pyridine (CID 155614441) is 2-[9-[3-[9-[3-[9-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]pyridine.

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

The canonical SMILES for 2-[9-[3-[9-[3-[9-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]pyridine is C[n+]1[c-]n(C2(c3cccc(C4(c5cccc(C6(c7ccccn7)c7ccccc7-c7ccccc76)c5)c5ccccc5-c5ccccc54)c3)c3ccccc3-c3ccccc32)cc1.

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

The InChIKey is OEXPJUGCIPPXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3/c1-62-36-37-63(40-62)60(55-32-12-6-26-49(55)50-27-7-13-33-56(50)60)44-21-17-19-42(39-44)58(51-28-8-2-22-45(51)46-23-3-9-29-52(46)58)41-18-16-20-43(38-41)59(57-34-14-15-35-61-57)53-30-10-4-24-47(53)48-25-5-11-31-54(48)59/h2-39H,1H3.

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

2-[9-[3-[9-[3-[9-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]pyridine has a molecular weight of 804.01 g/mol, XLogP of 12.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-[3-[9-[3-[9-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]pyridine is sourced from PubChem (CID 155614441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).