6,6-dimethyl-N-phenylindeno[2,1-b][1]benzothiol-8-amine

C23H19NS — CID 144856794

IUPAC6,6-dimethyl-N-phenylindeno[2,1-b][1]benzothiol-8-amine
SMILESCC1(C)c2cc(Nc3ccccc3)ccc2-c2c1sc1ccccc21
InChIInChI=1S/C23H19NS/c1-23(2)19-14-16(24-15-8-4-3-5-9-15)12-13-17(19)21-18-10-6-7-11-20(18)25-22(21)23/h3-14,24H,1-2H3
InChIKeyUTBPTIGRGDWYCL-UHFFFAOYSA-N
MW341.48 g/mol
LogP6.95
Rot. Bonds2

About 6,6-dimethyl-N-phenylindeno[2,1-b][1]benzothiol-8-amine

6,6-dimethyl-N-phenylindeno[2,1-b][1]benzothiol-8-amine (PubChem CID 144856794) has the molecular formula C23H19NS and a molecular weight of 341.48 g/mol. Its IUPAC name is 6,6-dimethyl-N-phenylindeno[2,1-b][1]benzothiol-8-amine.

Molecular Properties

Compound Name6,6-dimethyl-N-phenylindeno[2,1-b][1]benzothiol-8-amine
PubChem CID144856794
Molecular FormulaC23H19NS
Molecular Weight341.48 g/mol
Exact Mass341.12
IUPAC Name6,6-dimethyl-N-phenylindeno[2,1-b][1]benzothiol-8-amine
SMILESCC1(C)c2cc(Nc3ccccc3)ccc2-c2c1sc1ccccc21
InChIInChI=1S/C23H19NS/c1-23(2)19-14-16(24-15-8-4-3-5-9-15)12-13-17(19)21-18-10-6-7-11-20(18)25-22(21)23/h3-14,24H,1-2H3
InChIKeyUTBPTIGRGDWYCL-UHFFFAOYSA-N
XLogP6.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.48
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,6-dimethyl-N-phenylindeno[2,1-b][1]benzothiol-8-amine 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-(6,6-dimethylindeno[2,1-b][1]benzothiol-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 163607314
2-N,7-N-bis(2-anilinophenyl)-9,9-dimethylfluorene-2,7-diamine
CID 71080481
9,9-dimethyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 134528915
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160556555
2-N-(9,9-dimethylfluoren-2-yl)-8-N,8-N-diphenyldibenzothiophene-2,8-diamine
CID 129194324
7,7-dimethyl-N-(4-propan-2-ylphenyl)benzo[g]fluoren-9-amine
CID 142714289
8-bromo-6,6-diphenylindeno[2,1-b][1]benzothiole
CID 144856808
N-(4-dibenzothiophen-2-yl-2-phenylphenyl)-9,9-dimethylfluoren-2-amine
CID 154949770
spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]
CID 134529610
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-amine
CID 134551462
dibenzothiophene;9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 142480827
N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 166918119

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-N-phenylindeno[2,1-b][1]benzothiol-8-amine?
The IUPAC name of 6,6-dimethyl-N-phenylindeno[2,1-b][1]benzothiol-8-amine (CID 144856794) is 6,6-dimethyl-N-phenylindeno[2,1-b][1]benzothiol-8-amine.
What is the SMILES notation for 6,6-dimethyl-N-phenylindeno[2,1-b][1]benzothiol-8-amine?
The canonical SMILES for 6,6-dimethyl-N-phenylindeno[2,1-b][1]benzothiol-8-amine is CC1(C)c2cc(Nc3ccccc3)ccc2-c2c1sc1ccccc21.
What is the InChIKey of 6,6-dimethyl-N-phenylindeno[2,1-b][1]benzothiol-8-amine?
The InChIKey is UTBPTIGRGDWYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NS/c1-23(2)19-14-16(24-15-8-4-3-5-9-15)12-13-17(19)21-18-10-6-7-11-20(18)25-22(21)23/h3-14,24H,1-2H3.
What are the key properties of 6,6-dimethyl-N-phenylindeno[2,1-b][1]benzothiol-8-amine?
6,6-dimethyl-N-phenylindeno[2,1-b][1]benzothiol-8-amine has a molecular weight of 341.48 g/mol, XLogP of 6.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-N-phenylindeno[2,1-b][1]benzothiol-8-amine is sourced from PubChem (CID 144856794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).