9H-fluoren-9-ylmethyl N-[2-[2-[[(6aR,8R,9R,9aR)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]ethyl]carbamate

C49H64N6O10Si2 — CID 156645981

About 9H-fluoren-9-ylmethyl N-[2-[2-[[(6aR,8R,9R,9aR)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]ethyl]carbamate

9H-fluoren-9-ylmethyl N-[2-[2-[[(6aR,8R,9R,9aR)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]ethyl]carbamate (PubChem CID 156645981) has the molecular formula C49H64N6O10Si2 and a molecular weight of 953.25 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-[2-[[(6aR,8R,9R,9aR)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[2-[2-[[(6aR,8R,9R,9aR)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]ethyl]carbamate
• PubChem CID: 156645981
• Molecular Formula: C49H64N6O10Si2
• Molecular Weight: 953.25 g/mol
• Exact Mass: 952.42
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[2-[2-[[(6aR,8R,9R,9aR)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]ethyl]carbamate
• SMILES: CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](OCOCCOCCNC(=O)OCC3c4ccccc4-c4ccccc43)[C@@H]2O[Si](C(C)C)(C(C)C)O1
• InChI: InChI=1S/C49H64N6O10Si2/c1-31(2)66(32(3)4)62-27-41-43(64-67(65-66,33(5)6)34(7)8)44(48(63-41)55-29-53-42-45(51-28-52-46(42)55)54-47(56)35-16-10-9-11-17-35)61-30-59-25-24-58-23-22-50-49(57)60-26-40-38-20-14-12-18-36(38)37-19-13-15-21-39(37)40/h9-21,28-29,31-34,40-41,43-44,48H,22-27,30H2,1-8H3,(H,50,57)(H,51,52,54,56)/t41-,43-,44-,48-/m1/s1
• InChIKey: AEAGWEAKZMVYHW-ZQYOHPNZSA-N
• XLogP: 8.85
• TPSA: 175.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	953.25
LogP ≤ 5	8.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[2-[[(6aR,8R,9R,9aR)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]ethyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[2-[[(6aR,8R,9R,9aR)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]ethyl]carbamate (CID 156645981) is 9H-fluoren-9-ylmethyl N-[2-[2-[[(6aR,8R,9R,9aR)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]ethyl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-[2-[[(6aR,8R,9R,9aR)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]ethyl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-[2-[[(6aR,8R,9R,9aR)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]ethyl]carbamate is CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](OCOCCOCCNC(=O)OCC3c4ccccc4-c4ccccc43)[C@@H]2O[Si](C(C)C)(C(C)C)O1.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-[2-[[(6aR,8R,9R,9aR)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]ethyl]carbamate?

The InChIKey is AEAGWEAKZMVYHW-ZQYOHPNZSA-N. The full InChI is InChI=1S/C49H64N6O10Si2/c1-31(2)66(32(3)4)62-27-41-43(64-67(65-66,33(5)6)34(7)8)44(48(63-41)55-29-53-42-45(51-28-52-46(42)55)54-47(56)35-16-10-9-11-17-35)61-30-59-25-24-58-23-22-50-49(57)60-26-40-38-20-14-12-18-36(38)37-19-13-15-21-39(37)40/h9-21,28-29,31-34,40-41,43-44,48H,22-27,30H2,1-8H3,(H,50,57)(H,51,52,54,56)/t41-,43-,44-,48-/m1/s1.

What are the key properties of 9H-fluoren-9-ylmethyl N-[2-[2-[[(6aR,8R,9R,9aR)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]ethyl]carbamate?

9H-fluoren-9-ylmethyl N-[2-[2-[[(6aR,8R,9R,9aR)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]ethyl]carbamate has a molecular weight of 953.25 g/mol, XLogP of 8.85, 18 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[2-[2-[[(6aR,8R,9R,9aR)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 156645981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).