N-(9,9-dimethylfluoren-2-yl)-1-benzothiophen-2-amine

C23H19NS — CID 142732036

IUPACN-(9,9-dimethylfluoren-2-yl)-1-benzothiophen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3cc4ccccc4s3)cc21
InChIInChI=1S/C23H19NS/c1-23(2)19-9-5-4-8-17(19)18-12-11-16(14-20(18)23)24-22-13-15-7-3-6-10-21(15)25-22/h3-14,24H,1-2H3
InChIKeyTYHLYRRBWILDBY-UHFFFAOYSA-N
MW341.48 g/mol
LogP6.95
Rot. Bonds2

About N-(9,9-dimethylfluoren-2-yl)-1-benzothiophen-2-amine

N-(9,9-dimethylfluoren-2-yl)-1-benzothiophen-2-amine (PubChem CID 142732036) has the molecular formula C23H19NS and a molecular weight of 341.48 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-1-benzothiophen-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-1-benzothiophen-2-amine
PubChem CID142732036
Molecular FormulaC23H19NS
Molecular Weight341.48 g/mol
Exact Mass341.12
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-1-benzothiophen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3cc4ccccc4s3)cc21
InChIInChI=1S/C23H19NS/c1-23(2)19-9-5-4-8-17(19)18-12-11-16(14-20(18)23)24-22-13-15-7-3-6-10-21(15)25-22/h3-14,24H,1-2H3
InChIKeyTYHLYRRBWILDBY-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 N-(9,9-dimethylfluoren-2-yl)-1-benzothiophen-2-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

9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58453890
N-(9,9-dimethylfluoren-2-yl)-9,9,10,10-tetramethylanthracen-2-amine
CID 166647046
N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 166918119
9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-2-amine
CID 177113997
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
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 70891334
N-(9,9-dimethylfluoren-3-yl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine
CID 118360806
N-(4-ethenylphenyl)-9,9-dimethylfluoren-2-amine
CID 163509163
9,9-dimethyl-N-(4-trimethylsilylphenyl)fluoren-2-amine
CID 123399255
N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
CID 164774415
N-(2-dibenzothiophen-3-ylnaphthalen-1-yl)-9,9-dimethylfluoren-3-amine
CID 164774487

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-1-benzothiophen-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-1-benzothiophen-2-amine (CID 142732036) is N-(9,9-dimethylfluoren-2-yl)-1-benzothiophen-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-1-benzothiophen-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-1-benzothiophen-2-amine is CC1(C)c2ccccc2-c2ccc(Nc3cc4ccccc4s3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-1-benzothiophen-2-amine?
The InChIKey is TYHLYRRBWILDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NS/c1-23(2)19-9-5-4-8-17(19)18-12-11-16(14-20(18)23)24-22-13-15-7-3-6-10-21(15)25-22/h3-14,24H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-1-benzothiophen-2-amine?
N-(9,9-dimethylfluoren-2-yl)-1-benzothiophen-2-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 N-(9,9-dimethylfluoren-2-yl)-1-benzothiophen-2-amine is sourced from PubChem (CID 142732036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).