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

C44H50N2O8 — CID 23527536

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

6-[[6-[[9-methyl-7-[[5-(6-prop-2-enoyloxyhexoxy)-2-pyridinyl]oxymethoxy]-9H-fluoren-2-yl]methyl]-3-pyridinyl]oxy]hexyl prop-2-enoate (PubChem CID 23527536) has the molecular formula C44H50N2O8 and a molecular weight of 734.89 g/mol. Its IUPAC name is 6-[[6-[[9-methyl-7-[[5-(6-prop-2-enoyloxyhexoxy)-2-pyridinyl]oxymethoxy]-9H-fluoren-2-yl]methyl]-3-pyridinyl]oxy]hexyl prop-2-enoate.

Molecular Properties

• Compound Name: 6-[[6-[[9-methyl-7-[[5-(6-prop-2-enoyloxyhexoxy)-2-pyridinyl]oxymethoxy]-9H-fluoren-2-yl]methyl]-3-pyridinyl]oxy]hexyl prop-2-enoate
• PubChem CID: 23527536
• Molecular Formula: C44H50N2O8
• Molecular Weight: 734.89 g/mol
• Exact Mass: 734.36
• IUPAC Name: 6-[[6-[[9-methyl-7-[[5-(6-prop-2-enoyloxyhexoxy)-2-pyridinyl]oxymethoxy]-9H-fluoren-2-yl]methyl]-3-pyridinyl]oxy]hexyl prop-2-enoate
• SMILES: C=CC(=O)OCCCCCCOc1ccc(Cc2ccc3c(c2)C(C)c2cc(OCOc4ccc(OCCCCCCOC(=O)C=C)cn4)ccc2-3)nc1
• InChI: InChI=1S/C44H50N2O8/c1-4-43(47)51-24-12-8-6-10-22-49-36-16-15-34(45-29-36)26-33-14-19-38-39-20-17-35(28-41(39)32(3)40(38)27-33)53-31-54-42-21-18-37(30-46-42)50-23-11-7-9-13-25-52-44(48)5-2/h4-5,14-21,27-30,32H,1-2,6-13,22-26,31H2,3H3
• InChIKey: LFVSJKNKYKBJEG-UHFFFAOYSA-N
• XLogP: 8.95
• TPSA: 115.30 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 24
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	734.89
LogP ≤ 5	8.95
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-methyl-7-[[5-(6-prop-2-enoyloxyhexoxy)-2-pyridinyl]oxymethoxy]-9H-fluoren-2-yl]methyl]-3-pyridinyl]oxy]hexyl prop-2-enoate?

The IUPAC name of 6-[[6-[[9-methyl-7-[[5-(6-prop-2-enoyloxyhexoxy)-2-pyridinyl]oxymethoxy]-9H-fluoren-2-yl]methyl]-3-pyridinyl]oxy]hexyl prop-2-enoate (CID 23527536) is 6-[[6-[[9-methyl-7-[[5-(6-prop-2-enoyloxyhexoxy)-2-pyridinyl]oxymethoxy]-9H-fluoren-2-yl]methyl]-3-pyridinyl]oxy]hexyl prop-2-enoate.

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

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

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

The InChIKey is LFVSJKNKYKBJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H50N2O8/c1-4-43(47)51-24-12-8-6-10-22-49-36-16-15-34(45-29-36)26-33-14-19-38-39-20-17-35(28-41(39)32(3)40(38)27-33)53-31-54-42-21-18-37(30-46-42)50-23-11-7-9-13-25-52-44(48)5-2/h4-5,14-21,27-30,32H,1-2,6-13,22-26,31H2,3H3.

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

6-[[6-[[9-methyl-7-[[5-(6-prop-2-enoyloxyhexoxy)-2-pyridinyl]oxymethoxy]-9H-fluoren-2-yl]methyl]-3-pyridinyl]oxy]hexyl prop-2-enoate has a molecular weight of 734.89 g/mol, XLogP of 8.95, 24 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[6-[[9-methyl-7-[[5-(6-prop-2-enoyloxyhexoxy)-2-pyridinyl]oxymethoxy]-9H-fluoren-2-yl]methyl]-3-pyridinyl]oxy]hexyl prop-2-enoate is sourced from PubChem (CID 23527536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).