3-(6-dimethylphosphanyl-3-pyridinyl)-1-(4-fluorophenyl)-2-(oxan-4-yl)indol-4-ol

C26H26FN2O2P — CID 156878290

IUPAC3-(6-dimethylphosphanyl-3-pyridinyl)-1-(4-fluorophenyl)-2-(oxan-4-yl)indol-4-ol
SMILESCP(C)c1ccc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cccc(O)c23)cn1
InChIInChI=1S/C26H26FN2O2P/c1-32(2)23-11-6-18(16-28-23)24-25-21(4-3-5-22(25)30)29(20-9-7-19(27)8-10-20)26(24)17-12-14-31-15-13-17/h3-11,16-17,30H,12-15H2,1-2H3
InChIKeyUVROKLQTCSUNCP-UHFFFAOYSA-N
MW448.48 g/mol
LogP5.80
Rot. Bonds4

About 3-(6-dimethylphosphanyl-3-pyridinyl)-1-(4-fluorophenyl)-2-(oxan-4-yl)indol-4-ol

3-(6-dimethylphosphanyl-3-pyridinyl)-1-(4-fluorophenyl)-2-(oxan-4-yl)indol-4-ol (PubChem CID 156878290) has the molecular formula C26H26FN2O2P and a molecular weight of 448.48 g/mol. Its IUPAC name is 3-(6-dimethylphosphanyl-3-pyridinyl)-1-(4-fluorophenyl)-2-(oxan-4-yl)indol-4-ol.

Molecular Properties

Compound Name3-(6-dimethylphosphanyl-3-pyridinyl)-1-(4-fluorophenyl)-2-(oxan-4-yl)indol-4-ol
PubChem CID156878290
Molecular FormulaC26H26FN2O2P
Molecular Weight448.48 g/mol
Exact Mass448.17
IUPAC Name3-(6-dimethylphosphanyl-3-pyridinyl)-1-(4-fluorophenyl)-2-(oxan-4-yl)indol-4-ol
SMILESCP(C)c1ccc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cccc(O)c23)cn1
InChIInChI=1S/C26H26FN2O2P/c1-32(2)23-11-6-18(16-28-23)24-25-21(4-3-5-22(25)30)29(20-9-7-19(27)8-10-20)26(24)17-12-14-31-15-13-17/h3-11,16-17,30H,12-15H2,1-2H3
InChIKeyUVROKLQTCSUNCP-UHFFFAOYSA-N
XLogP5.80
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.48
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-dimethylphosphanyl-3-pyridinyl)-1-(4-fluorophenyl)-2-(oxan-4-yl)indol-4-ol?
The IUPAC name of 3-(6-dimethylphosphanyl-3-pyridinyl)-1-(4-fluorophenyl)-2-(oxan-4-yl)indol-4-ol (CID 156878290) is 3-(6-dimethylphosphanyl-3-pyridinyl)-1-(4-fluorophenyl)-2-(oxan-4-yl)indol-4-ol.
What is the SMILES notation for 3-(6-dimethylphosphanyl-3-pyridinyl)-1-(4-fluorophenyl)-2-(oxan-4-yl)indol-4-ol?
The canonical SMILES for 3-(6-dimethylphosphanyl-3-pyridinyl)-1-(4-fluorophenyl)-2-(oxan-4-yl)indol-4-ol is CP(C)c1ccc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cccc(O)c23)cn1.
What is the InChIKey of 3-(6-dimethylphosphanyl-3-pyridinyl)-1-(4-fluorophenyl)-2-(oxan-4-yl)indol-4-ol?
The InChIKey is UVROKLQTCSUNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN2O2P/c1-32(2)23-11-6-18(16-28-23)24-25-21(4-3-5-22(25)30)29(20-9-7-19(27)8-10-20)26(24)17-12-14-31-15-13-17/h3-11,16-17,30H,12-15H2,1-2H3.
What are the key properties of 3-(6-dimethylphosphanyl-3-pyridinyl)-1-(4-fluorophenyl)-2-(oxan-4-yl)indol-4-ol?
3-(6-dimethylphosphanyl-3-pyridinyl)-1-(4-fluorophenyl)-2-(oxan-4-yl)indol-4-ol has a molecular weight of 448.48 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-dimethylphosphanyl-3-pyridinyl)-1-(4-fluorophenyl)-2-(oxan-4-yl)indol-4-ol is sourced from PubChem (CID 156878290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).