diphenyl-[(2S,4R)-4-phenyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-8-yl]-sulfanylidene-λ5-phosphane

C34H27F3NPS — CID 132574432

IUPACdiphenyl-[(2S,4R)-4-phenyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-8-yl]-sulfanylidene-λ5-phosphane
SMILESFC(F)(F)c1ccc([C@@H]2C[C@H](c3ccccc3)c3cccc(P(=S)(c4ccccc4)c4ccccc4)c3N2)cc1
InChIInChI=1S/C34H27F3NPS/c35-34(36,37)26-21-19-25(20-22-26)31-23-30(24-11-4-1-5-12-24)29-17-10-18-32(33(29)38-31)39(40,27-13-6-2-7-14-27)28-15-8-3-9-16-28/h1-22,30-31,38H,23H2/t30-,31+/m1/s1
InChIKeyRYQRIXUKKVNFTF-JSOSNVBQSA-N
MW569.63 g/mol
LogP8.15
Rot. Bonds5

About diphenyl-[(2S,4R)-4-phenyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-8-yl]-sulfanylidene-λ5-phosphane

diphenyl-[(2S,4R)-4-phenyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-8-yl]-sulfanylidene-λ5-phosphane (PubChem CID 132574432) has the molecular formula C34H27F3NPS and a molecular weight of 569.63 g/mol. Its IUPAC name is diphenyl-[(2S,4R)-4-phenyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-8-yl]-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namediphenyl-[(2S,4R)-4-phenyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-8-yl]-sulfanylidene-λ5-phosphane
PubChem CID132574432
Molecular FormulaC34H27F3NPS
Molecular Weight569.63 g/mol
Exact Mass569.16
IUPAC Namediphenyl-[(2S,4R)-4-phenyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-8-yl]-sulfanylidene-λ5-phosphane
SMILESFC(F)(F)c1ccc([C@@H]2C[C@H](c3ccccc3)c3cccc(P(=S)(c4ccccc4)c4ccccc4)c3N2)cc1
InChIInChI=1S/C34H27F3NPS/c35-34(36,37)26-21-19-25(20-22-26)31-23-30(24-11-4-1-5-12-24)29-17-10-18-32(33(29)38-31)39(40,27-13-6-2-7-14-27)28-15-8-3-9-16-28/h1-22,30-31,38H,23H2/t30-,31+/m1/s1
InChIKeyRYQRIXUKKVNFTF-JSOSNVBQSA-N
XLogP8.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.63
LogP ≤ 58.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze diphenyl-[(2S,4R)-4-phenyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-8-yl]-sulfanylidene-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diphenyl-[(2S,4R)-4-phenyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-8-yl]-sulfanylidene-λ5-phosphane?
The IUPAC name of diphenyl-[(2S,4R)-4-phenyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-8-yl]-sulfanylidene-λ5-phosphane (CID 132574432) is diphenyl-[(2S,4R)-4-phenyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-8-yl]-sulfanylidene-λ5-phosphane.
What is the SMILES notation for diphenyl-[(2S,4R)-4-phenyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-8-yl]-sulfanylidene-λ5-phosphane?
The canonical SMILES for diphenyl-[(2S,4R)-4-phenyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-8-yl]-sulfanylidene-λ5-phosphane is FC(F)(F)c1ccc([C@@H]2C[C@H](c3ccccc3)c3cccc(P(=S)(c4ccccc4)c4ccccc4)c3N2)cc1.
What is the InChIKey of diphenyl-[(2S,4R)-4-phenyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-8-yl]-sulfanylidene-λ5-phosphane?
The InChIKey is RYQRIXUKKVNFTF-JSOSNVBQSA-N. The full InChI is InChI=1S/C34H27F3NPS/c35-34(36,37)26-21-19-25(20-22-26)31-23-30(24-11-4-1-5-12-24)29-17-10-18-32(33(29)38-31)39(40,27-13-6-2-7-14-27)28-15-8-3-9-16-28/h1-22,30-31,38H,23H2/t30-,31+/m1/s1.
What are the key properties of diphenyl-[(2S,4R)-4-phenyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-8-yl]-sulfanylidene-λ5-phosphane?
diphenyl-[(2S,4R)-4-phenyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-8-yl]-sulfanylidene-λ5-phosphane has a molecular weight of 569.63 g/mol, XLogP of 8.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[(2S,4R)-4-phenyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-8-yl]-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 132574432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).