9H-fluoren-9-yl N-[(2S)-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N-methylcarbamate

C47H50N2O7 — CID 171725202

About 9H-fluoren-9-yl N-[(2S)-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N-methylcarbamate

9H-fluoren-9-yl N-[(2S)-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N-methylcarbamate (PubChem CID 171725202) has the molecular formula C47H50N2O7 and a molecular weight of 754.92 g/mol. Its IUPAC name is 9H-fluoren-9-yl N-[(2S)-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N-methylcarbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-yl N-[(2S)-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N-methylcarbamate
• PubChem CID: 171725202
• Molecular Formula: C47H50N2O7
• Molecular Weight: 754.92 g/mol
• Exact Mass: 754.36
• IUPAC Name: 9H-fluoren-9-yl N-[(2S)-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N-methylcarbamate
• SMILES: COc1ccc(C(OC[C@@H]2C[C@@H](O)CN2C(=O)[C@H](CC(C)C)N(C)C(=O)OC2c3ccccc3-c3ccccc32)(c2ccccc2)c2ccc(OC)cc2)cc1
• InChI: InChI=1S/C47H50N2O7/c1-31(2)27-43(48(3)46(52)56-44-41-17-11-9-15-39(41)40-16-10-12-18-42(40)44)45(51)49-29-36(50)28-35(49)30-55-47(32-13-7-6-8-14-32,33-19-23-37(53-4)24-20-33)34-21-25-38(54-5)26-22-34/h6-26,31,35-36,43-44,50H,27-30H2,1-5H3/t35-,36+,43-/m0/s1
• InChIKey: TWSNDEKIWUTVLR-ANHWABQPSA-N
• XLogP: 8.23
• TPSA: 97.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	754.92
LogP ≤ 5	8.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl N-[(2S)-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N-methylcarbamate?

The IUPAC name of 9H-fluoren-9-yl N-[(2S)-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N-methylcarbamate (CID 171725202) is 9H-fluoren-9-yl N-[(2S)-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N-methylcarbamate.

What is the SMILES notation for 9H-fluoren-9-yl N-[(2S)-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N-methylcarbamate?

The canonical SMILES for 9H-fluoren-9-yl N-[(2S)-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N-methylcarbamate is COc1ccc(C(OC[C@@H]2C[C@@H](O)CN2C(=O)[C@H](CC(C)C)N(C)C(=O)OC2c3ccccc3-c3ccccc32)(c2ccccc2)c2ccc(OC)cc2)cc1.

What is the InChIKey of 9H-fluoren-9-yl N-[(2S)-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N-methylcarbamate?

The InChIKey is TWSNDEKIWUTVLR-ANHWABQPSA-N. The full InChI is InChI=1S/C47H50N2O7/c1-31(2)27-43(48(3)46(52)56-44-41-17-11-9-15-39(41)40-16-10-12-18-42(40)44)45(51)49-29-36(50)28-35(49)30-55-47(32-13-7-6-8-14-32,33-19-23-37(53-4)24-20-33)34-21-25-38(54-5)26-22-34/h6-26,31,35-36,43-44,50H,27-30H2,1-5H3/t35-,36+,43-/m0/s1.

What are the key properties of 9H-fluoren-9-yl N-[(2S)-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N-methylcarbamate?

9H-fluoren-9-yl N-[(2S)-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N-methylcarbamate has a molecular weight of 754.92 g/mol, XLogP of 8.23, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-yl N-[(2S)-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 171725202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).