2,4,4-triphenyl-2,3-dihydrothiochromene

C27H22S — CID 101125392

IUPAC2,4,4-triphenyl-2,3-dihydrothiochromene
SMILESc1ccc(C2CC(c3ccccc3)(c3ccccc3)c3ccccc3S2)cc1
InChIInChI=1S/C27H22S/c1-4-12-21(13-5-1)26-20-27(22-14-6-2-7-15-22,23-16-8-3-9-17-23)24-18-10-11-19-25(24)28-26/h1-19,26H,20H2
InChIKeyIFJRHGJFVOKYLG-UHFFFAOYSA-N
MW378.54 g/mol
LogP7.26
Rot. Bonds3

About 2,4,4-triphenyl-2,3-dihydrothiochromene

2,4,4-triphenyl-2,3-dihydrothiochromene (PubChem CID 101125392) has the molecular formula C27H22S and a molecular weight of 378.54 g/mol. Its IUPAC name is 2,4,4-triphenyl-2,3-dihydrothiochromene.

Molecular Properties

Compound Name2,4,4-triphenyl-2,3-dihydrothiochromene
PubChem CID101125392
Molecular FormulaC27H22S
Molecular Weight378.54 g/mol
Exact Mass378.14
IUPAC Name2,4,4-triphenyl-2,3-dihydrothiochromene
SMILESc1ccc(C2CC(c3ccccc3)(c3ccccc3)c3ccccc3S2)cc1
InChIInChI=1S/C27H22S/c1-4-12-21(13-5-1)26-20-27(22-14-6-2-7-15-22,23-16-8-3-9-17-23)24-18-10-11-19-25(24)28-26/h1-19,26H,20H2
InChIKeyIFJRHGJFVOKYLG-UHFFFAOYSA-N
XLogP7.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.54
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,8-dimethyl-2,4-diphenyl-2,3-dihydrothiochromene
CID 10914515
(2R,4R)-2-(4-bromophenyl)-4-methyl-2,3-dihydrothiochromen-4-ol
CID 177412083
1,1-dichloro-1a,3-diphenyl-2,3-dihydroazirino[2,1-d][1,5]benzothiazepine
CID 6426360
4,4-dimethyl-2,3-dihydrothiochromene-2-carboxylic acid
CID 165485156
(4R,5R,7R)-7-(4-bromophenyl)-4,5-diphenyl-8-thia-2-azatricyclo[7.4.0.02,5]trideca-1(13),9,11-trien-3-one
CID 40736423
1-(4-fluorophenyl)-3,3-diphenyl-1,2-dihydroindene
CID 135029070
2-(bromomethyl)-4,4-dimethyl-2,3-dihydrothiochromene
CID 86757174
(2S)-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 738643
(4R,5R,7R)-5-(4-chlorophenyl)-4,7-diphenyl-8-thia-2-azatricyclo[7.4.0.02,5]trideca-1(13),9,11-trien-3-one
CID 27548295
1-(3-nitrophenyl)-3,3-diphenyl-1,2-dihydroindene
CID 135029071
cis-(1R,2R)-1,2-diphenylcyclopropan-1-ol
CID 165358316
1,1,3-triphenyl-2,3-dihydrocyclopenta[b][1]benzothiole
CID 164519435

Frequently Asked Questions

What is the IUPAC name of 2,4,4-triphenyl-2,3-dihydrothiochromene?
The IUPAC name of 2,4,4-triphenyl-2,3-dihydrothiochromene (CID 101125392) is 2,4,4-triphenyl-2,3-dihydrothiochromene.
What is the SMILES notation for 2,4,4-triphenyl-2,3-dihydrothiochromene?
The canonical SMILES for 2,4,4-triphenyl-2,3-dihydrothiochromene is c1ccc(C2CC(c3ccccc3)(c3ccccc3)c3ccccc3S2)cc1.
What is the InChIKey of 2,4,4-triphenyl-2,3-dihydrothiochromene?
The InChIKey is IFJRHGJFVOKYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22S/c1-4-12-21(13-5-1)26-20-27(22-14-6-2-7-15-22,23-16-8-3-9-17-23)24-18-10-11-19-25(24)28-26/h1-19,26H,20H2.
What are the key properties of 2,4,4-triphenyl-2,3-dihydrothiochromene?
2,4,4-triphenyl-2,3-dihydrothiochromene has a molecular weight of 378.54 g/mol, XLogP of 7.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-triphenyl-2,3-dihydrothiochromene is sourced from PubChem (CID 101125392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).