6-[[6-[[9,9-difluoro-7-[[5-(6-prop-2-enoyloxyhexoxy)-2-pyridinyl]oxymethoxy]fluoren-2-yl]methyl]-3-pyridinyl]oxy]hexyl prop-2-enoate

C43H46F2N2O8 — CID 23527535

About 6-[[6-[[9,9-difluoro-7-[[5-(6-prop-2-enoyloxyhexoxy)-2-pyridinyl]oxymethoxy]fluoren-2-yl]methyl]-3-pyridinyl]oxy]hexyl prop-2-enoate

6-[[6-[[9,9-difluoro-7-[[5-(6-prop-2-enoyloxyhexoxy)-2-pyridinyl]oxymethoxy]fluoren-2-yl]methyl]-3-pyridinyl]oxy]hexyl prop-2-enoate (PubChem CID 23527535) has the molecular formula C43H46F2N2O8 and a molecular weight of 756.84 g/mol. Its IUPAC name is 6-[[6-[[9,9-difluoro-7-[[5-(6-prop-2-enoyloxyhexoxy)-2-pyridinyl]oxymethoxy]fluoren-2-yl]methyl]-3-pyridinyl]oxy]hexyl prop-2-enoate.

Molecular Properties

• Compound Name: 6-[[6-[[9,9-difluoro-7-[[5-(6-prop-2-enoyloxyhexoxy)-2-pyridinyl]oxymethoxy]fluoren-2-yl]methyl]-3-pyridinyl]oxy]hexyl prop-2-enoate
• PubChem CID: 23527535
• Molecular Formula: C43H46F2N2O8
• Molecular Weight: 756.84 g/mol
• Exact Mass: 756.32
• IUPAC Name: 6-[[6-[[9,9-difluoro-7-[[5-(6-prop-2-enoyloxyhexoxy)-2-pyridinyl]oxymethoxy]fluoren-2-yl]methyl]-3-pyridinyl]oxy]hexyl prop-2-enoate
• SMILES: C=CC(=O)OCCCCCCOc1ccc(Cc2ccc3c(c2)C(F)(F)c2cc(OCOc4ccc(OCCCCCCOC(=O)C=C)cn4)ccc2-3)nc1
• InChI: InChI=1S/C43H46F2N2O8/c1-3-41(48)52-23-11-7-5-9-21-50-34-15-14-32(46-28-34)25-31-13-18-36-37-19-16-33(27-39(37)43(44,45)38(36)26-31)54-30-55-40-20-17-35(29-47-40)51-22-10-6-8-12-24-53-42(49)4-2/h3-4,13-20,26-29H,1-2,5-12,21-25,30H2
• InChIKey: UVIZDIICJHVZRX-UHFFFAOYSA-N
• XLogP: 8.94
• TPSA: 115.30 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 24
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.84
LogP ≤ 5	8.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[[6-[[9,9-difluoro-7-[[5-(6-prop-2-enoyloxyhexoxy)-2-pyridinyl]oxymethoxy]fluoren-2-yl]methyl]-3-pyridinyl]oxy]hexyl prop-2-enoate?

The IUPAC name of 6-[[6-[[9,9-difluoro-7-[[5-(6-prop-2-enoyloxyhexoxy)-2-pyridinyl]oxymethoxy]fluoren-2-yl]methyl]-3-pyridinyl]oxy]hexyl prop-2-enoate (CID 23527535) is 6-[[6-[[9,9-difluoro-7-[[5-(6-prop-2-enoyloxyhexoxy)-2-pyridinyl]oxymethoxy]fluoren-2-yl]methyl]-3-pyridinyl]oxy]hexyl prop-2-enoate.

What is the SMILES notation for 6-[[6-[[9,9-difluoro-7-[[5-(6-prop-2-enoyloxyhexoxy)-2-pyridinyl]oxymethoxy]fluoren-2-yl]methyl]-3-pyridinyl]oxy]hexyl prop-2-enoate?

The canonical SMILES for 6-[[6-[[9,9-difluoro-7-[[5-(6-prop-2-enoyloxyhexoxy)-2-pyridinyl]oxymethoxy]fluoren-2-yl]methyl]-3-pyridinyl]oxy]hexyl prop-2-enoate is C=CC(=O)OCCCCCCOc1ccc(Cc2ccc3c(c2)C(F)(F)c2cc(OCOc4ccc(OCCCCCCOC(=O)C=C)cn4)ccc2-3)nc1.

What is the InChIKey of 6-[[6-[[9,9-difluoro-7-[[5-(6-prop-2-enoyloxyhexoxy)-2-pyridinyl]oxymethoxy]fluoren-2-yl]methyl]-3-pyridinyl]oxy]hexyl prop-2-enoate?

The InChIKey is UVIZDIICJHVZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H46F2N2O8/c1-3-41(48)52-23-11-7-5-9-21-50-34-15-14-32(46-28-34)25-31-13-18-36-37-19-16-33(27-39(37)43(44,45)38(36)26-31)54-30-55-40-20-17-35(29-47-40)51-22-10-6-8-12-24-53-42(49)4-2/h3-4,13-20,26-29H,1-2,5-12,21-25,30H2.

What are the key properties of 6-[[6-[[9,9-difluoro-7-[[5-(6-prop-2-enoyloxyhexoxy)-2-pyridinyl]oxymethoxy]fluoren-2-yl]methyl]-3-pyridinyl]oxy]hexyl prop-2-enoate?

6-[[6-[[9,9-difluoro-7-[[5-(6-prop-2-enoyloxyhexoxy)-2-pyridinyl]oxymethoxy]fluoren-2-yl]methyl]-3-pyridinyl]oxy]hexyl prop-2-enoate has a molecular weight of 756.84 g/mol, XLogP of 8.94, 24 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[6-[[9,9-difluoro-7-[[5-(6-prop-2-enoyloxyhexoxy)-2-pyridinyl]oxymethoxy]fluoren-2-yl]methyl]-3-pyridinyl]oxy]hexyl prop-2-enoate is sourced from PubChem (CID 23527535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).