2,4-diphenyl-6,7-dihydro-5H-thiochromene

C21H18S — CID 15731491

IUPAC2,4-diphenyl-6,7-dihydro-5H-thiochromene
SMILESC1=C2SC(c3ccccc3)=CC(c3ccccc3)=C2CCC1
InChIInChI=1S/C21H18S/c1-3-9-16(10-4-1)19-15-21(17-11-5-2-6-12-17)22-20-14-8-7-13-18(19)20/h1-6,9-12,14-15H,7-8,13H2
InChIKeyUYHUJZHKZJLGAN-UHFFFAOYSA-N
MW302.44 g/mol
LogP6.30
Rot. Bonds2

About 2,4-diphenyl-6,7-dihydro-5H-thiochromene

2,4-diphenyl-6,7-dihydro-5H-thiochromene (PubChem CID 15731491) has the molecular formula C21H18S and a molecular weight of 302.44 g/mol. Its IUPAC name is 2,4-diphenyl-6,7-dihydro-5H-thiochromene.

Molecular Properties

Compound Name2,4-diphenyl-6,7-dihydro-5H-thiochromene
PubChem CID15731491
Molecular FormulaC21H18S
Molecular Weight302.44 g/mol
Exact Mass302.11
IUPAC Name2,4-diphenyl-6,7-dihydro-5H-thiochromene
SMILESC1=C2SC(c3ccccc3)=CC(c3ccccc3)=C2CCC1
InChIInChI=1S/C21H18S/c1-3-9-16(10-4-1)19-15-21(17-11-5-2-6-12-17)22-20-14-8-7-13-18(19)20/h1-6,9-12,14-15H,7-8,13H2
InChIKeyUYHUJZHKZJLGAN-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.44
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,4-diphenyl-6,7-dihydro-5H-thiochromene with MolForge

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

Launch Full Analysis

Related Compounds

3-phenyl-5,6-dihydro-4H-indole
CID 10081370
(1Z)-1,2-diphenylcyclododecene
CID 5378897
1,2-diphenylcycloocta-1,3-diene
CID 54091831
1-(5-chloro-2-methylphenyl)-2,4-diphenyl-6,7-dihydro-5H-quinoline
CID 3719007
(2-bromocyclopenten-1-yl)benzene
CID 22917403
3-phenylcyclohept-3-en-1-one
CID 100969952
2-phenyl-6,7-dihydro-5H-1-benzofuran-1-ium
CID 134944287
1-methyl-3-phenyl-1,4,5,6-tetrahydroinden-2-one
CID 102574347
5-phenyl-8,9-dihydro-7H-benzo[7]annulene
CID 10857019
dichlorozirconium;(2,4-diphenylcyclopenta-1,4-dien-1-yl)benzene
CID 174625406
3-(2,6-diphenylthiopyran-4-ylidene)-5-phenyl-1H-pyrrol-2-one
CID 162715481
1-(4-phenylphenyl)cycloheptene
CID 58982123

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6,7-dihydro-5H-thiochromene?
The IUPAC name of 2,4-diphenyl-6,7-dihydro-5H-thiochromene (CID 15731491) is 2,4-diphenyl-6,7-dihydro-5H-thiochromene.
What is the SMILES notation for 2,4-diphenyl-6,7-dihydro-5H-thiochromene?
The canonical SMILES for 2,4-diphenyl-6,7-dihydro-5H-thiochromene is C1=C2SC(c3ccccc3)=CC(c3ccccc3)=C2CCC1.
What is the InChIKey of 2,4-diphenyl-6,7-dihydro-5H-thiochromene?
The InChIKey is UYHUJZHKZJLGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18S/c1-3-9-16(10-4-1)19-15-21(17-11-5-2-6-12-17)22-20-14-8-7-13-18(19)20/h1-6,9-12,14-15H,7-8,13H2.
What are the key properties of 2,4-diphenyl-6,7-dihydro-5H-thiochromene?
2,4-diphenyl-6,7-dihydro-5H-thiochromene has a molecular weight of 302.44 g/mol, XLogP of 6.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6,7-dihydro-5H-thiochromene is sourced from PubChem (CID 15731491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).