2-[9-[3-[9-[3-[9-(3,4-dimethyl-2H-imidazol-1-yl)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]pyridine

C61H45N3 — CID 176592362

About 2-[9-[3-[9-[3-[9-(3,4-dimethyl-2H-imidazol-1-yl)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]pyridine

2-[9-[3-[9-[3-[9-(3,4-dimethyl-2H-imidazol-1-yl)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]pyridine (PubChem CID 176592362) has the molecular formula C61H45N3 and a molecular weight of 820.05 g/mol. Its IUPAC name is 2-[9-[3-[9-[3-[9-(3,4-dimethyl-2H-imidazol-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-dimethyl-2H-imidazol-1-yl)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]pyridine
• PubChem CID: 176592362
• Molecular Formula: C61H45N3
• Molecular Weight: 820.05 g/mol
• Exact Mass: 819.36
• IUPAC Name: 2-[9-[3-[9-[3-[9-(3,4-dimethyl-2H-imidazol-1-yl)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]pyridine
• SMILES: CC1=CN(C2(c3cccc(C4(c5cccc(C6(c7ccccn7)c7ccccc7-c7ccccc76)c5)c5ccccc5-c5ccccc54)c3)c3ccccc3-c3ccccc32)CN1C
• InChI: InChI=1S/C61H45N3/c1-41-39-64(40-63(41)2)61(56-33-13-7-27-50(56)51-28-8-14-34-57(51)61)45-22-18-20-43(38-45)59(52-29-9-3-23-46(52)47-24-4-10-30-53(47)59)42-19-17-21-44(37-42)60(58-35-15-16-36-62-58)54-31-11-5-25-48(54)49-26-6-12-32-55(49)60/h3-39H,40H2,1-2H3
• InChIKey: RWVPKPJXGTZINP-UHFFFAOYSA-N
• XLogP: 13.15
• TPSA: 19.37 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	820.05
LogP ≤ 5	13.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-[9-[3-[9-(3,4-dimethyl-2H-imidazol-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-dimethyl-2H-imidazol-1-yl)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]pyridine (CID 176592362) is 2-[9-[3-[9-[3-[9-(3,4-dimethyl-2H-imidazol-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-dimethyl-2H-imidazol-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-dimethyl-2H-imidazol-1-yl)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]pyridine is CC1=CN(C2(c3cccc(C4(c5cccc(C6(c7ccccn7)c7ccccc7-c7ccccc76)c5)c5ccccc5-c5ccccc54)c3)c3ccccc3-c3ccccc32)CN1C.

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

The InChIKey is RWVPKPJXGTZINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H45N3/c1-41-39-64(40-63(41)2)61(56-33-13-7-27-50(56)51-28-8-14-34-57(51)61)45-22-18-20-43(38-45)59(52-29-9-3-23-46(52)47-24-4-10-30-53(47)59)42-19-17-21-44(37-42)60(58-35-15-16-36-62-58)54-31-11-5-25-48(54)49-26-6-12-32-55(49)60/h3-39H,40H2,1-2H3.

What are the key properties of 2-[9-[3-[9-[3-[9-(3,4-dimethyl-2H-imidazol-1-yl)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]pyridine?

2-[9-[3-[9-[3-[9-(3,4-dimethyl-2H-imidazol-1-yl)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]pyridine has a molecular weight of 820.05 g/mol, XLogP of 13.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-[3-[9-[3-[9-(3,4-dimethyl-2H-imidazol-1-yl)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]pyridine is sourced from PubChem (CID 176592362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).