7-phenyl-7H-cyclohepta[b][1]benzothiole

C19H14S — CID 130379651

IUPAC7-phenyl-7H-cyclohepta[b][1]benzothiole
SMILESC1=CC(c2ccccc2)C=c2sc3ccccc3c2=C1
InChIInChI=1S/C19H14S/c1-2-7-14(8-3-1)15-9-6-11-17-16-10-4-5-12-18(16)20-19(17)13-15/h1-13,15H
InChIKeyOPEAYSPZKFAJNO-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.82
Rot. Bonds1

About 7-phenyl-7H-cyclohepta[b][1]benzothiole

7-phenyl-7H-cyclohepta[b][1]benzothiole (PubChem CID 130379651) has the molecular formula C19H14S and a molecular weight of 274.39 g/mol. Its IUPAC name is 7-phenyl-7H-cyclohepta[b][1]benzothiole.

Molecular Properties

Compound Name7-phenyl-7H-cyclohepta[b][1]benzothiole
PubChem CID130379651
Molecular FormulaC19H14S
Molecular Weight274.39 g/mol
Exact Mass274.08
IUPAC Name7-phenyl-7H-cyclohepta[b][1]benzothiole
SMILESC1=CC(c2ccccc2)C=c2sc3ccccc3c2=C1
InChIInChI=1S/C19H14S/c1-2-7-14(8-3-1)15-9-6-11-17-16-10-4-5-12-18(16)20-19(17)13-15/h1-13,15H
InChIKeyOPEAYSPZKFAJNO-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-phenyl-7H-cyclohepta[b][1]benzothiole 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

2H-[1]benzothiolo[2,3-c]azepine
CID 154212483
3-[(1Z,3E)-4-cyclohepta-1,3,6-trien-1-ylbuta-1,3-dienyl]-2-methyl-7-phenyl-7H-cyclohepta[b]thiophene
CID 145356564
cyclopenta-2,4-dien-1-ylbenzene
CID 10917557
11,11a-dihydro-6aH-[1]benzothiolo[3,2-b]carbazole
CID 118682475
(4-phenylcyclohexa-2,5-dien-1-yl)benzene
CID 5248482
2-phenyl-2H-indene
CID 24940237
dibenzothiophene;methane
CID 162233710
5-phenylcyclohepta-1,3,6-triene-1-carbaldehyde
CID 142196065
(1R)-1-phenyl-1,2-dihydrocyclopenta[b][1]benzothiol-3-one
CID 134970084
2-methyl-2,3-dihydrodibenzothiophen-4-amine
CID 174307134
6-dibenzothiophen-4-yl-4-phenyl-1,4-dihydropyrimidine
CID 118584628
bis(dibenzothiophene);ethane
CID 143921746

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-7H-cyclohepta[b][1]benzothiole?
The IUPAC name of 7-phenyl-7H-cyclohepta[b][1]benzothiole (CID 130379651) is 7-phenyl-7H-cyclohepta[b][1]benzothiole.
What is the SMILES notation for 7-phenyl-7H-cyclohepta[b][1]benzothiole?
The canonical SMILES for 7-phenyl-7H-cyclohepta[b][1]benzothiole is C1=CC(c2ccccc2)C=c2sc3ccccc3c2=C1.
What is the InChIKey of 7-phenyl-7H-cyclohepta[b][1]benzothiole?
The InChIKey is OPEAYSPZKFAJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14S/c1-2-7-14(8-3-1)15-9-6-11-17-16-10-4-5-12-18(16)20-19(17)13-15/h1-13,15H.
What are the key properties of 7-phenyl-7H-cyclohepta[b][1]benzothiole?
7-phenyl-7H-cyclohepta[b][1]benzothiole has a molecular weight of 274.39 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-7H-cyclohepta[b][1]benzothiole is sourced from PubChem (CID 130379651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).