9H-fluoren-9-ylmethyl 2-[dimethoxy(trityloxy)methyl]pyrrolidine-1-carboxylate

C41H39NO5 — CID 22629866

IUPAC9H-fluoren-9-ylmethyl 2-[dimethoxy(trityloxy)methyl]pyrrolidine-1-carboxylate
SMILESCOC(OC)(OC(c1ccccc1)(c1ccccc1)c1ccccc1)C1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C41H39NO5/c1-44-41(45-2,47-40(30-17-6-3-7-18-30,31-19-8-4-9-20-31)32-21-10-5-11-22-32)38-27-16-28-42(38)39(43)46-29-37-35-25-14-12-23-33(35)34-24-13-15-26-36(34)37/h3-15,17-26,37-38H,16,27-29H2,1-2H3
InChIKeyQOTULJQZSPDRII-UHFFFAOYSA-N
MW625.77 g/mol
LogP8.36
Rot. Bonds10

About 9H-fluoren-9-ylmethyl 2-[dimethoxy(trityloxy)methyl]pyrrolidine-1-carboxylate

9H-fluoren-9-ylmethyl 2-[dimethoxy(trityloxy)methyl]pyrrolidine-1-carboxylate (PubChem CID 22629866) has the molecular formula C41H39NO5 and a molecular weight of 625.77 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 2-[dimethoxy(trityloxy)methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 2-[dimethoxy(trityloxy)methyl]pyrrolidine-1-carboxylate
PubChem CID22629866
Molecular FormulaC41H39NO5
Molecular Weight625.77 g/mol
Exact Mass625.28
IUPAC Name9H-fluoren-9-ylmethyl 2-[dimethoxy(trityloxy)methyl]pyrrolidine-1-carboxylate
SMILESCOC(OC)(OC(c1ccccc1)(c1ccccc1)c1ccccc1)C1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C41H39NO5/c1-44-41(45-2,47-40(30-17-6-3-7-18-30,31-19-8-4-9-20-31)32-21-10-5-11-22-32)38-27-16-28-42(38)39(43)46-29-37-35-25-14-12-23-33(35)34-24-13-15-26-36(34)37/h3-15,17-26,37-38H,16,27-29H2,1-2H3
InChIKeyQOTULJQZSPDRII-UHFFFAOYSA-N
XLogP8.36
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.77
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 2-[dimethoxy(trityloxy)methyl]pyrrolidine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 2-[dimethoxy(trityloxy)methyl]pyrrolidine-1-carboxylate (CID 22629866) is 9H-fluoren-9-ylmethyl 2-[dimethoxy(trityloxy)methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 2-[dimethoxy(trityloxy)methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 2-[dimethoxy(trityloxy)methyl]pyrrolidine-1-carboxylate is COC(OC)(OC(c1ccccc1)(c1ccccc1)c1ccccc1)C1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl 2-[dimethoxy(trityloxy)methyl]pyrrolidine-1-carboxylate?
The InChIKey is QOTULJQZSPDRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H39NO5/c1-44-41(45-2,47-40(30-17-6-3-7-18-30,31-19-8-4-9-20-31)32-21-10-5-11-22-32)38-27-16-28-42(38)39(43)46-29-37-35-25-14-12-23-33(35)34-24-13-15-26-36(34)37/h3-15,17-26,37-38H,16,27-29H2,1-2H3.
What are the key properties of 9H-fluoren-9-ylmethyl 2-[dimethoxy(trityloxy)methyl]pyrrolidine-1-carboxylate?
9H-fluoren-9-ylmethyl 2-[dimethoxy(trityloxy)methyl]pyrrolidine-1-carboxylate has a molecular weight of 625.77 g/mol, XLogP of 8.36, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 2-[dimethoxy(trityloxy)methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 22629866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).