2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-propan-2-ylquinoline

C29H27NS — CID 168815162

IUPAC2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-propan-2-ylquinoline
SMILESCC(C)c1ccc2nc(-c3cccc4c3C(C)(C)C3c5ccccc5SC43)ccc2c1
InChIInChI=1S/C29H27NS/c1-17(2)18-12-14-23-19(16-18)13-15-24(30-23)20-9-7-10-22-26(20)29(3,4)27-21-8-5-6-11-25(21)31-28(22)27/h5-17,27-28H,1-4H3
InChIKeyZXUOULRHSQONKB-UHFFFAOYSA-N
MW421.61 g/mol
LogP8.25
Rot. Bonds2

About 2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-propan-2-ylquinoline

2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-propan-2-ylquinoline (PubChem CID 168815162) has the molecular formula C29H27NS and a molecular weight of 421.61 g/mol. Its IUPAC name is 2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-propan-2-ylquinoline.

Molecular Properties

Compound Name2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-propan-2-ylquinoline
PubChem CID168815162
Molecular FormulaC29H27NS
Molecular Weight421.61 g/mol
Exact Mass421.19
IUPAC Name2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-propan-2-ylquinoline
SMILESCC(C)c1ccc2nc(-c3cccc4c3C(C)(C)C3c5ccccc5SC43)ccc2c1
InChIInChI=1S/C29H27NS/c1-17(2)18-12-14-23-19(16-18)13-15-24(30-23)20-9-7-10-22-26(20)29(3,4)27-21-8-5-6-11-25(21)31-28(22)27/h5-17,27-28H,1-4H3
InChIKeyZXUOULRHSQONKB-UHFFFAOYSA-N
XLogP8.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.61
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-propan-2-ylquinoline with MolForge

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Related Compounds

2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-methylquinoline
CID 168815286
2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-4-propan-2-ylquinoline
CID 168815128
ethane;2-propan-2-ylnaphthalene
CID 142226111
2-(3-hydroxy-6-propan-2-ylquinolin-2-yl)indene-1,3-dione
CID 20695798
6-phenyl-2-(2-phenylphenyl)quinoline
CID 141343784
2-propan-2-ylpentacene
CID 153380535
N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]butanamide
CID 46376288
N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-1H-imidazole-5-sulfonamide
CID 50816850
2-propan-2-ylquinoline;6-propan-2-ylquinoline
CID 67193731
2-(10,10-dimethyl-2H-indeno[1,2-b][1]benzofuran-2-id-1-yl)-6-propan-2-ylquinoline;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium
CID 168815656
2,6-di(propan-2-yl)naphthalene;ethane
CID 142320223
N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-2-thiophen-2-ylacetamide
CID 46376286

Frequently Asked Questions

What is the IUPAC name of 2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-propan-2-ylquinoline?
The IUPAC name of 2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-propan-2-ylquinoline (CID 168815162) is 2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-propan-2-ylquinoline.
What is the SMILES notation for 2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-propan-2-ylquinoline?
The canonical SMILES for 2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-propan-2-ylquinoline is CC(C)c1ccc2nc(-c3cccc4c3C(C)(C)C3c5ccccc5SC43)ccc2c1.
What is the InChIKey of 2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-propan-2-ylquinoline?
The InChIKey is ZXUOULRHSQONKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NS/c1-17(2)18-12-14-23-19(16-18)13-15-24(30-23)20-9-7-10-22-26(20)29(3,4)27-21-8-5-6-11-25(21)31-28(22)27/h5-17,27-28H,1-4H3.
What are the key properties of 2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-propan-2-ylquinoline?
2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-propan-2-ylquinoline has a molecular weight of 421.61 g/mol, XLogP of 8.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-propan-2-ylquinoline is sourced from PubChem (CID 168815162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).