9H-fluoren-9-ylmethyl 3-[[6-[2-acetamidoethyl-[2-[2-[6-[[3-(9H-fluoren-9-ylmethoxy)-3-oxopropyl]amino]hexanoyl-[2-[[11-(methylamino)-11-oxoundecyl]amino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]propanoate

C68H94N8O10 — CID 59809075

About 9H-fluoren-9-ylmethyl 3-[[6-[2-acetamidoethyl-[2-[2-[6-[[3-(9H-fluoren-9-ylmethoxy)-3-oxopropyl]amino]hexanoyl-[2-[[11-(methylamino)-11-oxoundecyl]amino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]propanoate

9H-fluoren-9-ylmethyl 3-[[6-[2-acetamidoethyl-[2-[2-[6-[[3-(9H-fluoren-9-ylmethoxy)-3-oxopropyl]amino]hexanoyl-[2-[[11-(methylamino)-11-oxoundecyl]amino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]propanoate (PubChem CID 59809075) has the molecular formula C68H94N8O10 and a molecular weight of 1183.55 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 3-[[6-[2-acetamidoethyl-[2-[2-[6-[[3-(9H-fluoren-9-ylmethoxy)-3-oxopropyl]amino]hexanoyl-[2-[[11-(methylamino)-11-oxoundecyl]amino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]propanoate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl 3-[[6-[2-acetamidoethyl-[2-[2-[6-[[3-(9H-fluoren-9-ylmethoxy)-3-oxopropyl]amino]hexanoyl-[2-[[11-(methylamino)-11-oxoundecyl]amino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]propanoate
• PubChem CID: 59809075
• Molecular Formula: C68H94N8O10
• Molecular Weight: 1183.55 g/mol
• Exact Mass: 1182.71
• IUPAC Name: 9H-fluoren-9-ylmethyl 3-[[6-[2-acetamidoethyl-[2-[2-[6-[[3-(9H-fluoren-9-ylmethoxy)-3-oxopropyl]amino]hexanoyl-[2-[[11-(methylamino)-11-oxoundecyl]amino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]propanoate
• SMILES: CNC(=O)CCCCCCCCCCNC(=O)CN(CCNC(=O)CN(CCNC(C)=O)C(=O)CCCCCNCCC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)CCCCCNCCC(=O)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C68H94N8O10/c1-51(77)72-43-45-75(65(81)34-12-9-22-38-70-41-36-67(83)85-49-60-56-29-18-14-25-52(56)53-26-15-19-30-57(53)60)48-64(80)74-44-46-76(47-63(79)73-40-24-8-6-4-3-5-7-11-33-62(78)69-2)66(82)35-13-10-23-39-71-42-37-68(84)86-50-61-58-31-20-16-27-54(58)55-28-17-21-32-59(55)61/h14-21,25-32,60-61,70-71H,3-13,22-24,33-50H2,1-2H3,(H,69,78)(H,72,77)(H,73,79)(H,74,80)
• InChIKey: PLTNWBHZHLFLAK-UHFFFAOYSA-N
• XLogP: 8.06
• TPSA: 233.68 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 43
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1183.55
LogP ≤ 5	8.06
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 3-[[6-[2-acetamidoethyl-[2-[2-[6-[[3-(9H-fluoren-9-ylmethoxy)-3-oxopropyl]amino]hexanoyl-[2-[[11-(methylamino)-11-oxoundecyl]amino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]propanoate?

The IUPAC name of 9H-fluoren-9-ylmethyl 3-[[6-[2-acetamidoethyl-[2-[2-[6-[[3-(9H-fluoren-9-ylmethoxy)-3-oxopropyl]amino]hexanoyl-[2-[[11-(methylamino)-11-oxoundecyl]amino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]propanoate (CID 59809075) is 9H-fluoren-9-ylmethyl 3-[[6-[2-acetamidoethyl-[2-[2-[6-[[3-(9H-fluoren-9-ylmethoxy)-3-oxopropyl]amino]hexanoyl-[2-[[11-(methylamino)-11-oxoundecyl]amino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]propanoate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl 3-[[6-[2-acetamidoethyl-[2-[2-[6-[[3-(9H-fluoren-9-ylmethoxy)-3-oxopropyl]amino]hexanoyl-[2-[[11-(methylamino)-11-oxoundecyl]amino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]propanoate?

The canonical SMILES for 9H-fluoren-9-ylmethyl 3-[[6-[2-acetamidoethyl-[2-[2-[6-[[3-(9H-fluoren-9-ylmethoxy)-3-oxopropyl]amino]hexanoyl-[2-[[11-(methylamino)-11-oxoundecyl]amino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]propanoate is CNC(=O)CCCCCCCCCCNC(=O)CN(CCNC(=O)CN(CCNC(C)=O)C(=O)CCCCCNCCC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)CCCCCNCCC(=O)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of 9H-fluoren-9-ylmethyl 3-[[6-[2-acetamidoethyl-[2-[2-[6-[[3-(9H-fluoren-9-ylmethoxy)-3-oxopropyl]amino]hexanoyl-[2-[[11-(methylamino)-11-oxoundecyl]amino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]propanoate?

The InChIKey is PLTNWBHZHLFLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H94N8O10/c1-51(77)72-43-45-75(65(81)34-12-9-22-38-70-41-36-67(83)85-49-60-56-29-18-14-25-52(56)53-26-15-19-30-57(53)60)48-64(80)74-44-46-76(47-63(79)73-40-24-8-6-4-3-5-7-11-33-62(78)69-2)66(82)35-13-10-23-39-71-42-37-68(84)86-50-61-58-31-20-16-27-54(58)55-28-17-21-32-59(55)61/h14-21,25-32,60-61,70-71H,3-13,22-24,33-50H2,1-2H3,(H,69,78)(H,72,77)(H,73,79)(H,74,80).

What are the key properties of 9H-fluoren-9-ylmethyl 3-[[6-[2-acetamidoethyl-[2-[2-[6-[[3-(9H-fluoren-9-ylmethoxy)-3-oxopropyl]amino]hexanoyl-[2-[[11-(methylamino)-11-oxoundecyl]amino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]propanoate?

9H-fluoren-9-ylmethyl 3-[[6-[2-acetamidoethyl-[2-[2-[6-[[3-(9H-fluoren-9-ylmethoxy)-3-oxopropyl]amino]hexanoyl-[2-[[11-(methylamino)-11-oxoundecyl]amino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]propanoate has a molecular weight of 1183.55 g/mol, XLogP of 8.06, 43 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl 3-[[6-[2-acetamidoethyl-[2-[2-[6-[[3-(9H-fluoren-9-ylmethoxy)-3-oxopropyl]amino]hexanoyl-[2-[[11-(methylamino)-11-oxoundecyl]amino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]propanoate is sourced from PubChem (CID 59809075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).