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

C29H27NS — CID 168815128

IUPAC2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-4-propan-2-ylquinoline
SMILESCC(C)c1cc(-c2cccc3c2C(C)(C)C2c4ccccc4SC32)nc2ccccc12
InChIInChI=1S/C29H27NS/c1-17(2)22-16-24(30-23-14-7-5-10-18(22)23)19-12-9-13-21-26(19)29(3,4)27-20-11-6-8-15-25(20)31-28(21)27/h5-17,27-28H,1-4H3
InChIKeyUVMKZMBDHIVVIN-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)-4-propan-2-ylquinoline

2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-4-propan-2-ylquinoline (PubChem CID 168815128) 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)-4-propan-2-ylquinoline.

Molecular Properties

Compound Name2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-4-propan-2-ylquinoline
PubChem CID168815128
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)-4-propan-2-ylquinoline
SMILESCC(C)c1cc(-c2cccc3c2C(C)(C)C2c4ccccc4SC32)nc2ccccc12
InChIInChI=1S/C29H27NS/c1-17(2)22-16-24(30-23-14-7-5-10-18(22)23)19-12-9-13-21-26(19)29(3,4)27-20-11-6-8-15-25(20)31-28(21)27/h5-17,27-28H,1-4H3
InChIKeyUVMKZMBDHIVVIN-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)-4-propan-2-ylquinoline 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

2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-propan-2-ylquinoline
CID 168815162
2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-6-methylquinoline
CID 168815286
4-propan-2-yl-2-(6-propan-2-yldibenzothiophen-4-yl)quinoline
CID 176651591
2-bromo-4-propan-2-ylquinoline
CID 146082408
2-(2-methylpropyl)-4-propan-2-ylquinoline
CID 175426775
2-ethyl-4-propan-2-ylquinoline
CID 144871804
2-(2-chloro-5-fluoropyrimidin-4-yl)-4-propan-2-ylquinoline
CID 170319291
methyl 4-propan-2-ylquinoline-2-carboxylate
CID 138515929
2-phenyl-4,7-di(propan-2-yl)-9-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline
CID 168853228
trimethyl-(4-propan-2-ylquinolin-2-yl)oxysilane
CID 134989647
2-(4-methylquinolin-2-yl)benzenethiol
CID 136656831
4-[1-(1H-imidazol-5-yl)ethyl]-2-phenylquinoline;dihydrochloride
CID 23499155

Frequently Asked Questions

What is the IUPAC name of 2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-4-propan-2-ylquinoline?
The IUPAC name of 2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-4-propan-2-ylquinoline (CID 168815128) is 2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-4-propan-2-ylquinoline.
What is the SMILES notation for 2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-4-propan-2-ylquinoline?
The canonical SMILES for 2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-4-propan-2-ylquinoline is CC(C)c1cc(-c2cccc3c2C(C)(C)C2c4ccccc4SC32)nc2ccccc12.
What is the InChIKey of 2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-4-propan-2-ylquinoline?
The InChIKey is UVMKZMBDHIVVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NS/c1-17(2)22-16-24(30-23-14-7-5-10-18(22)23)19-12-9-13-21-26(19)29(3,4)27-20-11-6-8-15-25(20)31-28(21)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)-4-propan-2-ylquinoline?
2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-4-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)-4-propan-2-ylquinoline is sourced from PubChem (CID 168815128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).