[(1S)-1-(4-ethoxy-2-pyridinyl)ethoxy]-(9H-fluoren-9-ylmethoxy)-hydroxy-sulfanylidene-λ5-phosphane

C23H24NO4PS — CID 165126876

IUPAC[(1S)-1-(4-ethoxy-2-pyridinyl)ethoxy]-(9H-fluoren-9-ylmethoxy)-hydroxy-sulfanylidene-λ5-phosphane
SMILESCCOc1ccnc([C@H](C)OP(O)(=S)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C23H24NO4PS/c1-3-26-17-12-13-24-23(14-17)16(2)28-29(25,30)27-15-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-14,16,22H,3,15H2,1-2H3,(H,25,30)/t16-,29?/m0/s1
InChIKeyKWRJSLCCXRZJJV-NUZMYHNKSA-N
MW441.49 g/mol
LogP5.60
Rot. Bonds8

About [(1S)-1-(4-ethoxy-2-pyridinyl)ethoxy]-(9H-fluoren-9-ylmethoxy)-hydroxy-sulfanylidene-λ5-phosphane

[(1S)-1-(4-ethoxy-2-pyridinyl)ethoxy]-(9H-fluoren-9-ylmethoxy)-hydroxy-sulfanylidene-λ5-phosphane (PubChem CID 165126876) has the molecular formula C23H24NO4PS and a molecular weight of 441.49 g/mol. Its IUPAC name is [(1S)-1-(4-ethoxy-2-pyridinyl)ethoxy]-(9H-fluoren-9-ylmethoxy)-hydroxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name[(1S)-1-(4-ethoxy-2-pyridinyl)ethoxy]-(9H-fluoren-9-ylmethoxy)-hydroxy-sulfanylidene-λ5-phosphane
PubChem CID165126876
Molecular FormulaC23H24NO4PS
Molecular Weight441.49 g/mol
Exact Mass441.12
IUPAC Name[(1S)-1-(4-ethoxy-2-pyridinyl)ethoxy]-(9H-fluoren-9-ylmethoxy)-hydroxy-sulfanylidene-λ5-phosphane
SMILESCCOc1ccnc([C@H](C)OP(O)(=S)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C23H24NO4PS/c1-3-26-17-12-13-24-23(14-17)16(2)28-29(25,30)27-15-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-14,16,22H,3,15H2,1-2H3,(H,25,30)/t16-,29?/m0/s1
InChIKeyKWRJSLCCXRZJJV-NUZMYHNKSA-N
XLogP5.60
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.49
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxy-2-pyridinyl)propanoic acid
CID 83879247
9H-fluoren-9-ylmethoxy-[(1R)-1-(4-methoxypyridin-1-ium-2-yl)ethoxy]-oxido-sulfanylidene-λ5-phosphane
CID 165126879
9H-fluoren-9-ylmethyl methyl hydrogen phosphate
CID 129027379
4-ethoxy-2-(2-propan-2-yloxyphenyl)pyridine
CID 159838337
1,5-bis(4-ethoxy-2-pyridinyl)pentane-1,3,5-tricarbaldehyde
CID 174481147
9H-fluoren-9-ylmethyl N-(aminomethyl)-N-[2-[4-(2,4-diethoxyphenyl)phenoxy]acetyl]carbamate
CID 70131125
(1S,2S)-2-amino-3-(3,5-difluorophenyl)-1-(4-ethoxy-2-pyridinyl)propan-1-ol;(1S,2S)-3-(3,5-difluorophenyl)-1-(4-ethoxy-2-pyridinyl)-2-methylpropan-1-ol
CID 161269320
4-ethoxy-2-ethylpyridine
CID 59520086
N-(benzhydrylideneamino)-4-ethoxypyridin-2-amine
CID 168893959
9H-fluoren-9-ylmethyl 3-(4-ethoxy-2-fluorophenyl)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171955169
9H-fluoren-9-ylmethyl 2-amino-3-methylbutanoate
CID 4038449
O-(9H-fluoren-9-ylmethyl) 1H-imidazole-2-carbothioate
CID 59238025

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-ethoxy-2-pyridinyl)ethoxy]-(9H-fluoren-9-ylmethoxy)-hydroxy-sulfanylidene-λ5-phosphane?
The IUPAC name of [(1S)-1-(4-ethoxy-2-pyridinyl)ethoxy]-(9H-fluoren-9-ylmethoxy)-hydroxy-sulfanylidene-λ5-phosphane (CID 165126876) is [(1S)-1-(4-ethoxy-2-pyridinyl)ethoxy]-(9H-fluoren-9-ylmethoxy)-hydroxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for [(1S)-1-(4-ethoxy-2-pyridinyl)ethoxy]-(9H-fluoren-9-ylmethoxy)-hydroxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for [(1S)-1-(4-ethoxy-2-pyridinyl)ethoxy]-(9H-fluoren-9-ylmethoxy)-hydroxy-sulfanylidene-λ5-phosphane is CCOc1ccnc([C@H](C)OP(O)(=S)OCC2c3ccccc3-c3ccccc32)c1.
What is the InChIKey of [(1S)-1-(4-ethoxy-2-pyridinyl)ethoxy]-(9H-fluoren-9-ylmethoxy)-hydroxy-sulfanylidene-λ5-phosphane?
The InChIKey is KWRJSLCCXRZJJV-NUZMYHNKSA-N. The full InChI is InChI=1S/C23H24NO4PS/c1-3-26-17-12-13-24-23(14-17)16(2)28-29(25,30)27-15-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-14,16,22H,3,15H2,1-2H3,(H,25,30)/t16-,29?/m0/s1.
What are the key properties of [(1S)-1-(4-ethoxy-2-pyridinyl)ethoxy]-(9H-fluoren-9-ylmethoxy)-hydroxy-sulfanylidene-λ5-phosphane?
[(1S)-1-(4-ethoxy-2-pyridinyl)ethoxy]-(9H-fluoren-9-ylmethoxy)-hydroxy-sulfanylidene-λ5-phosphane has a molecular weight of 441.49 g/mol, XLogP of 5.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-ethoxy-2-pyridinyl)ethoxy]-(9H-fluoren-9-ylmethoxy)-hydroxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 165126876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).