1,3-diphenyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]thiochromene

C25H24S — CID 12785399

IUPAC1,3-diphenyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]thiochromene
SMILESc1ccc(C2CC(c3ccccc3)C3c4ccccc4CCC3S2)cc1
InChIInChI=1S/C25H24S/c1-3-9-18(10-4-1)22-17-24(20-12-5-2-6-13-20)26-23-16-15-19-11-7-8-14-21(19)25(22)23/h1-14,22-25H,15-17H2
InChIKeyJXYBUQCBIGIQFF-UHFFFAOYSA-N
MW356.53 g/mol
LogP6.75
Rot. Bonds2

About 1,3-diphenyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]thiochromene

1,3-diphenyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]thiochromene (PubChem CID 12785399) has the molecular formula C25H24S and a molecular weight of 356.53 g/mol. Its IUPAC name is 1,3-diphenyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]thiochromene.

Molecular Properties

Compound Name1,3-diphenyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]thiochromene
PubChem CID12785399
Molecular FormulaC25H24S
Molecular Weight356.53 g/mol
Exact Mass356.16
IUPAC Name1,3-diphenyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]thiochromene
SMILESc1ccc(C2CC(c3ccccc3)C3c4ccccc4CCC3S2)cc1
InChIInChI=1S/C25H24S/c1-3-9-18(10-4-1)22-17-24(20-12-5-2-6-13-20)26-23-16-15-19-11-7-8-14-21(19)25(22)23/h1-14,22-25H,15-17H2
InChIKeyJXYBUQCBIGIQFF-UHFFFAOYSA-N
XLogP6.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.53
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3-diphenyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]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

3,5-diphenylthiolan-2-ol
CID 144931057
4-(4-methoxyphenyl)-2-phenyl-3,4,4a,5,6,10b-hexahydro-2H-benzo[h]thiochromene
CID 12785396
[(1S,2R)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
CID 10776328
N-(2-phenylcyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63454712
(2R,5R)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-phenyloxolane
CID 102174724
3-(2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1λ4-thiacyclohepta-1,3,5,7-tetraene
CID 174269362
N-methyl-5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
CID 3046877
(2S,6S)-2,6-diphenylthiane
CID 7065629
1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalene
CID 156649341
1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 18477073
4-[(1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]pyridine
CID 10443504
(2R)-2-methyl-1-(2,2,3-trimethylcyclopropyl)-1,2,3,4-tetrahydronaphthalene
CID 163627308

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]thiochromene?
The IUPAC name of 1,3-diphenyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]thiochromene (CID 12785399) is 1,3-diphenyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]thiochromene.
What is the SMILES notation for 1,3-diphenyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]thiochromene?
The canonical SMILES for 1,3-diphenyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]thiochromene is c1ccc(C2CC(c3ccccc3)C3c4ccccc4CCC3S2)cc1.
What is the InChIKey of 1,3-diphenyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]thiochromene?
The InChIKey is JXYBUQCBIGIQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24S/c1-3-9-18(10-4-1)22-17-24(20-12-5-2-6-13-20)26-23-16-15-19-11-7-8-14-21(19)25(22)23/h1-14,22-25H,15-17H2.
What are the key properties of 1,3-diphenyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]thiochromene?
1,3-diphenyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]thiochromene has a molecular weight of 356.53 g/mol, XLogP of 6.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]thiochromene is sourced from PubChem (CID 12785399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).