5-(6-ethenoxyhexoxy)-2-[[7-[[5-(6-ethenoxyhexoxy)-2-pyridinyl]methyl]-9,9-difluorofluoren-2-yl]oxymethoxy]pyridine;2-(3-ethenoxypropoxy)-5-[2-[7-[2-[5-(3-ethenoxypropoxy)-2-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]pyridine

C78H86F2N4O10 — CID 91503059

About 5-(6-ethenoxyhexoxy)-2-[[7-[[5-(6-ethenoxyhexoxy)-2-pyridinyl]methyl]-9,9-difluorofluoren-2-yl]oxymethoxy]pyridine;2-(3-ethenoxypropoxy)-5-[2-[7-[2-[5-(3-ethenoxypropoxy)-2-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]pyridine

5-(6-ethenoxyhexoxy)-2-[[7-[[5-(6-ethenoxyhexoxy)-2-pyridinyl]methyl]-9,9-difluorofluoren-2-yl]oxymethoxy]pyridine;2-(3-ethenoxypropoxy)-5-[2-[7-[2-[5-(3-ethenoxypropoxy)-2-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]pyridine (PubChem CID 91503059) has the molecular formula C78H86F2N4O10 and a molecular weight of 1277.56 g/mol. Its IUPAC name is 5-(6-ethenoxyhexoxy)-2-[[7-[[5-(6-ethenoxyhexoxy)-2-pyridinyl]methyl]-9,9-difluorofluoren-2-yl]oxymethoxy]pyridine;2-(3-ethenoxypropoxy)-5-[2-[7-[2-[5-(3-ethenoxypropoxy)-2-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]pyridine.

Molecular Properties

• Compound Name: 5-(6-ethenoxyhexoxy)-2-[[7-[[5-(6-ethenoxyhexoxy)-2-pyridinyl]methyl]-9,9-difluorofluoren-2-yl]oxymethoxy]pyridine;2-(3-ethenoxypropoxy)-5-[2-[7-[2-[5-(3-ethenoxypropoxy)-2-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]pyridine
• PubChem CID: 91503059
• Molecular Formula: C78H86F2N4O10
• Molecular Weight: 1277.56 g/mol
• Exact Mass: 1276.63
• IUPAC Name: 5-(6-ethenoxyhexoxy)-2-[[7-[[5-(6-ethenoxyhexoxy)-2-pyridinyl]methyl]-9,9-difluorofluoren-2-yl]oxymethoxy]pyridine;2-(3-ethenoxypropoxy)-5-[2-[7-[2-[5-(3-ethenoxypropoxy)-2-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]pyridine
• SMILES: C=COCCCCCCOc1ccc(Cc2ccc3c(c2)C(F)(F)c2cc(OCOc4ccc(OCCCCCCOC=C)cn4)ccc2-3)nc1.C=COCCCOc1ccc(CCc2ccc3c(c2)Cc2cc(CCc4ccc(OCCCOC=C)nc4)ccc2-3)nc1
• InChI: InChI=1S/C41H46F2N2O6.C37H40N2O4/c1-3-46-21-9-5-7-11-23-48-34-15-14-32(44-28-34)25-31-13-18-36-37-19-16-33(27-39(37)41(42,43)38(36)26-31)50-30-51-40-20-17-35(29-45-40)49-24-12-8-6-10-22-47-4-2;1-3-40-19-5-21-42-34-15-14-33(38-27-34)13-9-29-11-17-36-32(24-29)25-31-23-28(10-16-35(31)36)7-8-30-12-18-37(39-26-30)43-22-6-20-41-4-2/h3-4,13-20,26-29H,1-2,5-12,21-25,30H2;3-4,10-12,14-18,23-24,26-27H,1-2,5-9,13,19-22,25H2
• InChIKey: VASRFFBYTCFQQP-UHFFFAOYSA-N
• XLogP: 17.28
• TPSA: 143.86 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 42
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1277.56
LogP ≤ 5	17.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(6-ethenoxyhexoxy)-2-[[7-[[5-(6-ethenoxyhexoxy)-2-pyridinyl]methyl]-9,9-difluorofluoren-2-yl]oxymethoxy]pyridine;2-(3-ethenoxypropoxy)-5-[2-[7-[2-[5-(3-ethenoxypropoxy)-2-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]pyridine?

The IUPAC name of 5-(6-ethenoxyhexoxy)-2-[[7-[[5-(6-ethenoxyhexoxy)-2-pyridinyl]methyl]-9,9-difluorofluoren-2-yl]oxymethoxy]pyridine;2-(3-ethenoxypropoxy)-5-[2-[7-[2-[5-(3-ethenoxypropoxy)-2-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]pyridine (CID 91503059) is 5-(6-ethenoxyhexoxy)-2-[[7-[[5-(6-ethenoxyhexoxy)-2-pyridinyl]methyl]-9,9-difluorofluoren-2-yl]oxymethoxy]pyridine;2-(3-ethenoxypropoxy)-5-[2-[7-[2-[5-(3-ethenoxypropoxy)-2-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]pyridine.

What is the SMILES notation for 5-(6-ethenoxyhexoxy)-2-[[7-[[5-(6-ethenoxyhexoxy)-2-pyridinyl]methyl]-9,9-difluorofluoren-2-yl]oxymethoxy]pyridine;2-(3-ethenoxypropoxy)-5-[2-[7-[2-[5-(3-ethenoxypropoxy)-2-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]pyridine?

The canonical SMILES for 5-(6-ethenoxyhexoxy)-2-[[7-[[5-(6-ethenoxyhexoxy)-2-pyridinyl]methyl]-9,9-difluorofluoren-2-yl]oxymethoxy]pyridine;2-(3-ethenoxypropoxy)-5-[2-[7-[2-[5-(3-ethenoxypropoxy)-2-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]pyridine is C=COCCCCCCOc1ccc(Cc2ccc3c(c2)C(F)(F)c2cc(OCOc4ccc(OCCCCCCOC=C)cn4)ccc2-3)nc1.C=COCCCOc1ccc(CCc2ccc3c(c2)Cc2cc(CCc4ccc(OCCCOC=C)nc4)ccc2-3)nc1.

What is the InChIKey of 5-(6-ethenoxyhexoxy)-2-[[7-[[5-(6-ethenoxyhexoxy)-2-pyridinyl]methyl]-9,9-difluorofluoren-2-yl]oxymethoxy]pyridine;2-(3-ethenoxypropoxy)-5-[2-[7-[2-[5-(3-ethenoxypropoxy)-2-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]pyridine?

The InChIKey is VASRFFBYTCFQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H46F2N2O6.C37H40N2O4/c1-3-46-21-9-5-7-11-23-48-34-15-14-32(44-28-34)25-31-13-18-36-37-19-16-33(27-39(37)41(42,43)38(36)26-31)50-30-51-40-20-17-35(29-45-40)49-24-12-8-6-10-22-47-4-2;1-3-40-19-5-21-42-34-15-14-33(38-27-34)13-9-29-11-17-36-32(24-29)25-31-23-28(10-16-35(31)36)7-8-30-12-18-37(39-26-30)43-22-6-20-41-4-2/h3-4,13-20,26-29H,1-2,5-12,21-25,30H2;3-4,10-12,14-18,23-24,26-27H,1-2,5-9,13,19-22,25H2.

What are the key properties of 5-(6-ethenoxyhexoxy)-2-[[7-[[5-(6-ethenoxyhexoxy)-2-pyridinyl]methyl]-9,9-difluorofluoren-2-yl]oxymethoxy]pyridine;2-(3-ethenoxypropoxy)-5-[2-[7-[2-[5-(3-ethenoxypropoxy)-2-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]pyridine?

5-(6-ethenoxyhexoxy)-2-[[7-[[5-(6-ethenoxyhexoxy)-2-pyridinyl]methyl]-9,9-difluorofluoren-2-yl]oxymethoxy]pyridine;2-(3-ethenoxypropoxy)-5-[2-[7-[2-[5-(3-ethenoxypropoxy)-2-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]pyridine has a molecular weight of 1277.56 g/mol, XLogP of 17.28, 42 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(6-ethenoxyhexoxy)-2-[[7-[[5-(6-ethenoxyhexoxy)-2-pyridinyl]methyl]-9,9-difluorofluoren-2-yl]oxymethoxy]pyridine;2-(3-ethenoxypropoxy)-5-[2-[7-[2-[5-(3-ethenoxypropoxy)-2-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]pyridine is sourced from PubChem (CID 91503059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).