2-[9-[3-[9-[3-[9-(3,4,5-trimethyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]pyridine

C62H45N3 — CID 155614289

About 2-[9-[3-[9-[3-[9-(3,4,5-trimethyl-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-(3,4,5-trimethyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]pyridine (PubChem CID 155614289) has the molecular formula C62H45N3 and a molecular weight of 832.06 g/mol. Its IUPAC name is 2-[9-[3-[9-[3-[9-(3,4,5-trimethyl-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-(3,4,5-trimethyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]pyridine
• PubChem CID: 155614289
• Molecular Formula: C62H45N3
• Molecular Weight: 832.06 g/mol
• Exact Mass: 831.36
• IUPAC Name: 2-[9-[3-[9-[3-[9-(3,4,5-trimethyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]pyridine
• SMILES: Cc1c(C)[n+](C)[c-]n1C1(c2cccc(C3(c4cccc(C5(c6ccccn6)c6ccccc6-c6ccccc65)c4)c4ccccc4-c4ccccc43)c2)c2ccccc2-c2ccccc21
• InChI: InChI=1S/C62H45N3/c1-41-42(2)65(40-64(41)3)62(57-34-14-8-28-51(57)52-29-9-15-35-58(52)62)46-23-19-21-44(39-46)60(53-30-10-4-24-47(53)48-25-5-11-31-54(48)60)43-20-18-22-45(38-43)61(59-36-16-17-37-63-59)55-32-12-6-26-49(55)50-27-7-13-33-56(50)61/h4-39H,1-3H3
• InChIKey: BGKHEQOUFJASIB-UHFFFAOYSA-N
• XLogP: 12.67
• TPSA: 21.70 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	832.06
LogP ≤ 5	12.67
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-(3,4,5-trimethyl-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-(3,4,5-trimethyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]pyridine (CID 155614289) is 2-[9-[3-[9-[3-[9-(3,4,5-trimethyl-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-(3,4,5-trimethyl-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-(3,4,5-trimethyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]pyridine is Cc1c(C)[n+](C)[c-]n1C1(c2cccc(C3(c4cccc(C5(c6ccccn6)c6ccccc6-c6ccccc65)c4)c4ccccc4-c4ccccc43)c2)c2ccccc2-c2ccccc21.

What is the InChIKey of 2-[9-[3-[9-[3-[9-(3,4,5-trimethyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]pyridine?

The InChIKey is BGKHEQOUFJASIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H45N3/c1-41-42(2)65(40-64(41)3)62(57-34-14-8-28-51(57)52-29-9-15-35-58(52)62)46-23-19-21-44(39-46)60(53-30-10-4-24-47(53)48-25-5-11-31-54(48)60)43-20-18-22-45(38-43)61(59-36-16-17-37-63-59)55-32-12-6-26-49(55)50-27-7-13-33-56(50)61/h4-39H,1-3H3.

What are the key properties of 2-[9-[3-[9-[3-[9-(3,4,5-trimethyl-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-(3,4,5-trimethyl-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 832.06 g/mol, XLogP of 12.67, 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-(3,4,5-trimethyl-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 155614289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).