9H-fluoren-9-ylmethyl N-(4-selenocyanatophenyl)carbamate

C22H16N2O2Se — CID 118729597

IUPAC9H-fluoren-9-ylmethyl N-(4-selenocyanatophenyl)carbamate
SMILESN#C[Se]c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C22H16N2O2Se/c23-14-27-16-11-9-15(10-12-16)24-22(25)26-13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21H,13H2,(H,24,25)
InChIKeyOPFVLYCRJDLSPO-UHFFFAOYSA-N
MW419.34 g/mol
LogP3.86
Rot. Bonds4

About 9H-fluoren-9-ylmethyl N-(4-selenocyanatophenyl)carbamate

9H-fluoren-9-ylmethyl N-(4-selenocyanatophenyl)carbamate (PubChem CID 118729597) has the molecular formula C22H16N2O2Se and a molecular weight of 419.34 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(4-selenocyanatophenyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(4-selenocyanatophenyl)carbamate
PubChem CID118729597
Molecular FormulaC22H16N2O2Se
Molecular Weight419.34 g/mol
Exact Mass420.04
IUPAC Name9H-fluoren-9-ylmethyl N-(4-selenocyanatophenyl)carbamate
SMILESN#C[Se]c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C22H16N2O2Se/c23-14-27-16-11-9-15(10-12-16)24-22(25)26-13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21H,13H2,(H,24,25)
InChIKeyOPFVLYCRJDLSPO-UHFFFAOYSA-N
XLogP3.86
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(4-selenocyanatophenyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(4-selenocyanatophenyl)carbamate (CID 118729597) is 9H-fluoren-9-ylmethyl N-(4-selenocyanatophenyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(4-selenocyanatophenyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(4-selenocyanatophenyl)carbamate is N#C[Se]c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(4-selenocyanatophenyl)carbamate?
The InChIKey is OPFVLYCRJDLSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2Se/c23-14-27-16-11-9-15(10-12-16)24-22(25)26-13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21H,13H2,(H,24,25).
What are the key properties of 9H-fluoren-9-ylmethyl N-(4-selenocyanatophenyl)carbamate?
9H-fluoren-9-ylmethyl N-(4-selenocyanatophenyl)carbamate has a molecular weight of 419.34 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(4-selenocyanatophenyl)carbamate is sourced from PubChem (CID 118729597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).