2-methyl-6-[6-[6-(7-methyl-9,9-dioctylfluoren-2-yl)-2-pyridinyl]-2-pyridinyl]pyridine

C46H55N3 — CID 58850538

About 2-methyl-6-[6-[6-(7-methyl-9,9-dioctylfluoren-2-yl)-2-pyridinyl]-2-pyridinyl]pyridine

2-methyl-6-[6-[6-(7-methyl-9,9-dioctylfluoren-2-yl)-2-pyridinyl]-2-pyridinyl]pyridine (PubChem CID 58850538) has the molecular formula C46H55N3 and a molecular weight of 649.97 g/mol. Its IUPAC name is 2-methyl-6-[6-[6-(7-methyl-9,9-dioctylfluoren-2-yl)-2-pyridinyl]-2-pyridinyl]pyridine.

Molecular Properties

• Compound Name: 2-methyl-6-[6-[6-(7-methyl-9,9-dioctylfluoren-2-yl)-2-pyridinyl]-2-pyridinyl]pyridine
• PubChem CID: 58850538
• Molecular Formula: C46H55N3
• Molecular Weight: 649.97 g/mol
• Exact Mass: 649.44
• IUPAC Name: 2-methyl-6-[6-[6-(7-methyl-9,9-dioctylfluoren-2-yl)-2-pyridinyl]-2-pyridinyl]pyridine
• SMILES: CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cccc(-c4cccc(-c5cccc(C)n5)n4)n3)cc21
• InChI: InChI=1S/C46H55N3/c1-5-7-9-11-13-15-30-46(31-16-14-12-10-8-6-2)39-32-34(3)26-28-37(39)38-29-27-36(33-40(38)46)41-21-18-23-44(48-41)45-25-19-24-43(49-45)42-22-17-20-35(4)47-42/h17-29,32-33H,5-16,30-31H2,1-4H3
• InChIKey: WDNJVWGIDCWVTG-UHFFFAOYSA-N
• XLogP: 13.26
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 17
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	649.97
LogP ≤ 5	13.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[6-[6-(7-methyl-9,9-dioctylfluoren-2-yl)-2-pyridinyl]-2-pyridinyl]pyridine?

The IUPAC name of 2-methyl-6-[6-[6-(7-methyl-9,9-dioctylfluoren-2-yl)-2-pyridinyl]-2-pyridinyl]pyridine (CID 58850538) is 2-methyl-6-[6-[6-(7-methyl-9,9-dioctylfluoren-2-yl)-2-pyridinyl]-2-pyridinyl]pyridine.

What is the SMILES notation for 2-methyl-6-[6-[6-(7-methyl-9,9-dioctylfluoren-2-yl)-2-pyridinyl]-2-pyridinyl]pyridine?

The canonical SMILES for 2-methyl-6-[6-[6-(7-methyl-9,9-dioctylfluoren-2-yl)-2-pyridinyl]-2-pyridinyl]pyridine is CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cccc(-c4cccc(-c5cccc(C)n5)n4)n3)cc21.

What is the InChIKey of 2-methyl-6-[6-[6-(7-methyl-9,9-dioctylfluoren-2-yl)-2-pyridinyl]-2-pyridinyl]pyridine?

The InChIKey is WDNJVWGIDCWVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H55N3/c1-5-7-9-11-13-15-30-46(31-16-14-12-10-8-6-2)39-32-34(3)26-28-37(39)38-29-27-36(33-40(38)46)41-21-18-23-44(48-41)45-25-19-24-43(49-45)42-22-17-20-35(4)47-42/h17-29,32-33H,5-16,30-31H2,1-4H3.

What are the key properties of 2-methyl-6-[6-[6-(7-methyl-9,9-dioctylfluoren-2-yl)-2-pyridinyl]-2-pyridinyl]pyridine?

2-methyl-6-[6-[6-(7-methyl-9,9-dioctylfluoren-2-yl)-2-pyridinyl]-2-pyridinyl]pyridine has a molecular weight of 649.97 g/mol, XLogP of 13.26, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-6-[6-[6-(7-methyl-9,9-dioctylfluoren-2-yl)-2-pyridinyl]-2-pyridinyl]pyridine is sourced from PubChem (CID 58850538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).