9H-fluoren-9-ylmethyl N-[2-[[5-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxymethyl]-2-phenyl-1,3-dioxan-5-yl]methoxy]ethyl]carbamate

C46H46N2O8 — CID 134275765

About 9H-fluoren-9-ylmethyl N-[2-[[5-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxymethyl]-2-phenyl-1,3-dioxan-5-yl]methoxy]ethyl]carbamate

9H-fluoren-9-ylmethyl N-[2-[[5-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxymethyl]-2-phenyl-1,3-dioxan-5-yl]methoxy]ethyl]carbamate (PubChem CID 134275765) has the molecular formula C46H46N2O8 and a molecular weight of 754.88 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-[[5-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxymethyl]-2-phenyl-1,3-dioxan-5-yl]methoxy]ethyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[2-[[5-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxymethyl]-2-phenyl-1,3-dioxan-5-yl]methoxy]ethyl]carbamate
• PubChem CID: 134275765
• Molecular Formula: C46H46N2O8
• Molecular Weight: 754.88 g/mol
• Exact Mass: 754.33
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[2-[[5-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxymethyl]-2-phenyl-1,3-dioxan-5-yl]methoxy]ethyl]carbamate
• SMILES: O=C(NCCOCC1(COCCNC(=O)OCC2c3ccccc3-c3ccccc32)COC(c2ccccc2)OC1)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C46H46N2O8/c49-44(53-26-41-37-18-8-4-14-33(37)34-15-5-9-19-38(34)41)47-22-24-51-28-46(30-55-43(56-31-46)32-12-2-1-3-13-32)29-52-25-23-48-45(50)54-27-42-39-20-10-6-16-35(39)36-17-7-11-21-40(36)42/h1-21,41-43H,22-31H2,(H,47,49)(H,48,50)
• InChIKey: IRTBJTSRVIDGLS-UHFFFAOYSA-N
• XLogP: 7.83
• TPSA: 113.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	754.88
LogP ≤ 5	7.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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 N-[2-[[5-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxymethyl]-2-phenyl-1,3-dioxan-5-yl]methoxy]ethyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[[5-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxymethyl]-2-phenyl-1,3-dioxan-5-yl]methoxy]ethyl]carbamate (CID 134275765) is 9H-fluoren-9-ylmethyl N-[2-[[5-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxymethyl]-2-phenyl-1,3-dioxan-5-yl]methoxy]ethyl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-[[5-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxymethyl]-2-phenyl-1,3-dioxan-5-yl]methoxy]ethyl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-[[5-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxymethyl]-2-phenyl-1,3-dioxan-5-yl]methoxy]ethyl]carbamate is O=C(NCCOCC1(COCCNC(=O)OCC2c3ccccc3-c3ccccc32)COC(c2ccccc2)OC1)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-[[5-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxymethyl]-2-phenyl-1,3-dioxan-5-yl]methoxy]ethyl]carbamate?

The InChIKey is IRTBJTSRVIDGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H46N2O8/c49-44(53-26-41-37-18-8-4-14-33(37)34-15-5-9-19-38(34)41)47-22-24-51-28-46(30-55-43(56-31-46)32-12-2-1-3-13-32)29-52-25-23-48-45(50)54-27-42-39-20-10-6-16-35(39)36-17-7-11-21-40(36)42/h1-21,41-43H,22-31H2,(H,47,49)(H,48,50).

What are the key properties of 9H-fluoren-9-ylmethyl N-[2-[[5-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxymethyl]-2-phenyl-1,3-dioxan-5-yl]methoxy]ethyl]carbamate?

9H-fluoren-9-ylmethyl N-[2-[[5-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxymethyl]-2-phenyl-1,3-dioxan-5-yl]methoxy]ethyl]carbamate has a molecular weight of 754.88 g/mol, XLogP of 7.83, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[2-[[5-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxymethyl]-2-phenyl-1,3-dioxan-5-yl]methoxy]ethyl]carbamate is sourced from PubChem (CID 134275765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).