2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetic acid

C50H58N2O10 — CID 152751889

About 2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetic acid

2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetic acid (PubChem CID 152751889) has the molecular formula C50H58N2O10 and a molecular weight of 847.02 g/mol. Its IUPAC name is 2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetic acid.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetic acid
• PubChem CID: 152751889
• Molecular Formula: C50H58N2O10
• Molecular Weight: 847.02 g/mol
• Exact Mass: 846.41
• IUPAC Name: 2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetic acid
• SMILES: O=C(O)COCCOCCOCCN(CCOCCOCCOCCNC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C50H58N2O10/c53-48(54)39-61-37-36-60-35-32-58-29-26-52(49(55)62-38-47-45-22-12-10-20-43(45)44-21-11-13-23-46(44)47)25-28-57-31-34-59-33-30-56-27-24-51-50(40-14-4-1-5-15-40,41-16-6-2-7-17-41)42-18-8-3-9-19-42/h1-23,47,51H,24-39H2,(H,53,54)
• InChIKey: CKOYBLJNXCXDOR-UHFFFAOYSA-N
• XLogP: 7.00
• TPSA: 134.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 29
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	847.02
LogP ≤ 5	7.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetic acid?

The IUPAC name of 2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetic acid (CID 152751889) is 2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetic acid.

What is the SMILES notation for 2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetic acid?

The canonical SMILES for 2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetic acid is O=C(O)COCCOCCOCCN(CCOCCOCCOCCNC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of 2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetic acid?

The InChIKey is CKOYBLJNXCXDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H58N2O10/c53-48(54)39-61-37-36-60-35-32-58-29-26-52(49(55)62-38-47-45-22-12-10-20-43(45)44-21-11-13-23-46(44)47)25-28-57-31-34-59-33-30-56-27-24-51-50(40-14-4-1-5-15-40,41-16-6-2-7-17-41)42-18-8-3-9-19-42/h1-23,47,51H,24-39H2,(H,53,54).

What are the key properties of 2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetic acid?

2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetic acid has a molecular weight of 847.02 g/mol, XLogP of 7.00, 29 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 152751889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).