3,6,6-triphenyl-2,5-dihydrothiopyran

C23H20S — CID 100928447

IUPAC3,6,6-triphenyl-2,5-dihydrothiopyran
SMILESC1=C(c2ccccc2)CSC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C23H20S/c1-4-10-19(11-5-1)20-16-17-23(24-18-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-16H,17-18H2
InChIKeyRCJYEZJDTJDARA-UHFFFAOYSA-N
MW328.48 g/mol
LogP6.15
Rot. Bonds3

About 3,6,6-triphenyl-2,5-dihydrothiopyran

3,6,6-triphenyl-2,5-dihydrothiopyran (PubChem CID 100928447) has the molecular formula C23H20S and a molecular weight of 328.48 g/mol. Its IUPAC name is 3,6,6-triphenyl-2,5-dihydrothiopyran.

Molecular Properties

Compound Name3,6,6-triphenyl-2,5-dihydrothiopyran
PubChem CID100928447
Molecular FormulaC23H20S
Molecular Weight328.48 g/mol
Exact Mass328.13
IUPAC Name3,6,6-triphenyl-2,5-dihydrothiopyran
SMILESC1=C(c2ccccc2)CSC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C23H20S/c1-4-10-19(11-5-1)20-16-17-23(24-18-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-16H,17-18H2
InChIKeyRCJYEZJDTJDARA-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.48
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-phenylspiro[2,5-dihydrothiopyran-6,9'-fluorene]
CID 100928449
4-phenylspiro[2,5-dihydrothiopyran-6,9'-fluorene]
CID 10592255
(1S,5R)-5-methyl-1,3-diphenyl-8-oxabicyclo[3.2.1]oct-2-ene
CID 135062463
ethane;8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 91004379
(5-butyl-4,4-dimethylcyclohexen-1-yl)benzene
CID 123913209
benzene;tris(1,1'-biphenyl)
CID 162155747
2,2,5-triphenyl-3,4-dihydropyrrole
CID 11289490
3,3-dimethyl-1-(4-phenylphenyl)cyclopentan-1-amine
CID 80692373
(1E,2S,7R,8E)-2,7,9,14-tetraphenyl-3,6,10,13-tetrathiatricyclo[6.6.0.02,7]tetradeca-1(14),8-diene
CID 15320202
cyclopent-1-en-3-yn-1-ylbenzene
CID 158131975
N,N-dimethyl-1,2,3-triphenylcycloprop-2-en-1-amine
CID 616519
(3aR,6aR)-3a,6a-dimethyl-3,6-diphenyl-1,4-dihydropentalene
CID 11837589

Frequently Asked Questions

What is the IUPAC name of 3,6,6-triphenyl-2,5-dihydrothiopyran?
The IUPAC name of 3,6,6-triphenyl-2,5-dihydrothiopyran (CID 100928447) is 3,6,6-triphenyl-2,5-dihydrothiopyran.
What is the SMILES notation for 3,6,6-triphenyl-2,5-dihydrothiopyran?
The canonical SMILES for 3,6,6-triphenyl-2,5-dihydrothiopyran is C1=C(c2ccccc2)CSC(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of 3,6,6-triphenyl-2,5-dihydrothiopyran?
The InChIKey is RCJYEZJDTJDARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20S/c1-4-10-19(11-5-1)20-16-17-23(24-18-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-16H,17-18H2.
What are the key properties of 3,6,6-triphenyl-2,5-dihydrothiopyran?
3,6,6-triphenyl-2,5-dihydrothiopyran has a molecular weight of 328.48 g/mol, XLogP of 6.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-triphenyl-2,5-dihydrothiopyran is sourced from PubChem (CID 100928447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).