3-decyl-4-fluoro-8-(4-methylcyclohexyl)benzo[c]chromene-6-thione

C30H39FOS — CID 141494284

IUPAC3-decyl-4-fluoro-8-(4-methylcyclohexyl)benzo[c]chromene-6-thione
SMILESCCCCCCCCCCc1ccc2c(oc(=S)c3cc(C4CCC(C)CC4)ccc32)c1F
InChIInChI=1S/C30H39FOS/c1-3-4-5-6-7-8-9-10-11-23-16-19-26-25-18-17-24(22-14-12-21(2)13-15-22)20-27(25)30(33)32-29(26)28(23)31/h16-22H,3-15H2,1-2H3
InChIKeyGOYLSIAVTUGEAJ-UHFFFAOYSA-N
MW466.71 g/mol
LogP10.43
Rot. Bonds10

About 3-decyl-4-fluoro-8-(4-methylcyclohexyl)benzo[c]chromene-6-thione

3-decyl-4-fluoro-8-(4-methylcyclohexyl)benzo[c]chromene-6-thione (PubChem CID 141494284) has the molecular formula C30H39FOS and a molecular weight of 466.71 g/mol. Its IUPAC name is 3-decyl-4-fluoro-8-(4-methylcyclohexyl)benzo[c]chromene-6-thione.

Molecular Properties

Compound Name3-decyl-4-fluoro-8-(4-methylcyclohexyl)benzo[c]chromene-6-thione
PubChem CID141494284
Molecular FormulaC30H39FOS
Molecular Weight466.71 g/mol
Exact Mass466.27
IUPAC Name3-decyl-4-fluoro-8-(4-methylcyclohexyl)benzo[c]chromene-6-thione
SMILESCCCCCCCCCCc1ccc2c(oc(=S)c3cc(C4CCC(C)CC4)ccc32)c1F
InChIInChI=1S/C30H39FOS/c1-3-4-5-6-7-8-9-10-11-23-16-19-26-25-18-17-24(22-14-12-21(2)13-15-22)20-27(25)30(33)32-29(26)28(23)31/h16-22H,3-15H2,1-2H3
InChIKeyGOYLSIAVTUGEAJ-UHFFFAOYSA-N
XLogP10.43
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.71
LogP ≤ 510.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-decyl-4-fluoro-8-(4-methylcyclohexyl)benzo[c]chromene-6-thione 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

4-fluoro-3-heptyl-8-(4-propylcyclohexyl)benzo[c]chromene-6-thione
CID 141494465
8-(4-decylcyclohexyl)-4-fluoro-3-hexylbenzo[c]chromene-6-thione
CID 141494410
4-fluoro-8-(4-heptylcyclohexyl)-3-nonylbenzo[c]chromene-6-thione
CID 141494300
3-butyl-4-fluoro-8-(4-propylcyclohexyl)benzo[c]chromene-6-thione
CID 141494237
3-decyl-4-fluoro-8-(4-methylcyclohexyl)benzo[c]chromen-6-one
CID 141494490
3-ethyl-4-fluoro-8-(4-octylcyclohexyl)benzo[c]chromene-6-thione
CID 141494386
8-(4-butylcyclohexyl)-3-decyl-4-fluorobenzo[c]chromen-6-one
CID 141494219
4-fluoro-8-(4-hexylcyclohexyl)-3-octylbenzo[c]chromen-6-one
CID 141494453
8-(4-decylcyclohexyl)-4-fluoro-3-nonylbenzo[c]chromen-6-one
CID 141494617
4-fluoro-3-nonyl-8-(4-octylphenyl)benzo[c]chromene-6-thione
CID 141229908
4-fluoro-3-hexyl-8-(4-hexylphenyl)benzo[c]chromene-6-thione
CID 141229992
4-fluoro-3-octyl-8-(4-pentylphenyl)benzo[c]chromene-6-thione
CID 141230062

Frequently Asked Questions

What is the IUPAC name of 3-decyl-4-fluoro-8-(4-methylcyclohexyl)benzo[c]chromene-6-thione?
The IUPAC name of 3-decyl-4-fluoro-8-(4-methylcyclohexyl)benzo[c]chromene-6-thione (CID 141494284) is 3-decyl-4-fluoro-8-(4-methylcyclohexyl)benzo[c]chromene-6-thione.
What is the SMILES notation for 3-decyl-4-fluoro-8-(4-methylcyclohexyl)benzo[c]chromene-6-thione?
The canonical SMILES for 3-decyl-4-fluoro-8-(4-methylcyclohexyl)benzo[c]chromene-6-thione is CCCCCCCCCCc1ccc2c(oc(=S)c3cc(C4CCC(C)CC4)ccc32)c1F.
What is the InChIKey of 3-decyl-4-fluoro-8-(4-methylcyclohexyl)benzo[c]chromene-6-thione?
The InChIKey is GOYLSIAVTUGEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39FOS/c1-3-4-5-6-7-8-9-10-11-23-16-19-26-25-18-17-24(22-14-12-21(2)13-15-22)20-27(25)30(33)32-29(26)28(23)31/h16-22H,3-15H2,1-2H3.
What are the key properties of 3-decyl-4-fluoro-8-(4-methylcyclohexyl)benzo[c]chromene-6-thione?
3-decyl-4-fluoro-8-(4-methylcyclohexyl)benzo[c]chromene-6-thione has a molecular weight of 466.71 g/mol, XLogP of 10.43, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decyl-4-fluoro-8-(4-methylcyclohexyl)benzo[c]chromene-6-thione is sourced from PubChem (CID 141494284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).