2-N,7-N-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-9H-fluorene-2,7-dicarboxamide

C27H34N8O6 — CID 175531818

About 2-N,7-N-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-9H-fluorene-2,7-dicarboxamide

2-N,7-N-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-9H-fluorene-2,7-dicarboxamide (PubChem CID 175531818) has the molecular formula C27H34N8O6 and a molecular weight of 566.62 g/mol. Its IUPAC name is 2-N,7-N-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-9H-fluorene-2,7-dicarboxamide.

Molecular Properties

• Compound Name: 2-N,7-N-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-9H-fluorene-2,7-dicarboxamide
• PubChem CID: 175531818
• Molecular Formula: C27H34N8O6
• Molecular Weight: 566.62 g/mol
• Exact Mass: 566.26
• IUPAC Name: 2-N,7-N-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-9H-fluorene-2,7-dicarboxamide
• SMILES: [N-]=[N+]=NCCOCCOCCNC(=O)c1ccc2c(c1)Cc1cc(C(=O)NCCOCCOCCN=[N+]=[N-])ccc1-2
• InChI: InChI=1S/C27H34N8O6/c28-34-32-7-11-40-15-13-38-9-5-30-26(36)20-1-3-24-22(17-20)19-23-18-21(2-4-25(23)24)27(37)31-6-10-39-14-16-41-12-8-33-35-29/h1-4,17-18H,5-16,19H2,(H,30,36)(H,31,37)
• InChIKey: HTOPLOVQXPCGHZ-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 192.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 20
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.62
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-9H-fluorene-2,7-dicarboxamide?

The IUPAC name of 2-N,7-N-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-9H-fluorene-2,7-dicarboxamide (CID 175531818) is 2-N,7-N-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-9H-fluorene-2,7-dicarboxamide.

What is the SMILES notation for 2-N,7-N-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-9H-fluorene-2,7-dicarboxamide?

The canonical SMILES for 2-N,7-N-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-9H-fluorene-2,7-dicarboxamide is [N-]=[N+]=NCCOCCOCCNC(=O)c1ccc2c(c1)Cc1cc(C(=O)NCCOCCOCCN=[N+]=[N-])ccc1-2.

What is the InChIKey of 2-N,7-N-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-9H-fluorene-2,7-dicarboxamide?

The InChIKey is HTOPLOVQXPCGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N8O6/c28-34-32-7-11-40-15-13-38-9-5-30-26(36)20-1-3-24-22(17-20)19-23-18-21(2-4-25(23)24)27(37)31-6-10-39-14-16-41-12-8-33-35-29/h1-4,17-18H,5-16,19H2,(H,30,36)(H,31,37).

What are the key properties of 2-N,7-N-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-9H-fluorene-2,7-dicarboxamide?

2-N,7-N-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-9H-fluorene-2,7-dicarboxamide has a molecular weight of 566.62 g/mol, XLogP of 3.40, 20 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,7-N-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-9H-fluorene-2,7-dicarboxamide is sourced from PubChem (CID 175531818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).