N-spiro[fluorene-9,9'-thioxanthene]-3'-ylnaphtho[2,3-b][1]benzofuran-4-amine

C41H25NOS — CID 166959966

IUPACN-spiro[fluorene-9,9'-thioxanthene]-3'-ylnaphtho[2,3-b][1]benzofuran-4-amine
SMILESc1ccc2c(c1)Sc1cc(Nc3cccc4c3oc3cc5ccccc5cc34)ccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C41H25NOS/c1-2-11-26-23-37-31(22-25(26)10-1)30-14-9-18-36(40(30)43-37)42-27-20-21-35-39(24-27)44-38-19-8-7-17-34(38)41(35)32-15-5-3-12-28(32)29-13-4-6-16-33(29)41/h1-24,42H
InChIKeyDAKMPDPDVLBZPZ-UHFFFAOYSA-N
MW579.72 g/mol
LogP11.31
Rot. Bonds2

About N-spiro[fluorene-9,9'-thioxanthene]-3'-ylnaphtho[2,3-b][1]benzofuran-4-amine

N-spiro[fluorene-9,9'-thioxanthene]-3'-ylnaphtho[2,3-b][1]benzofuran-4-amine (PubChem CID 166959966) has the molecular formula C41H25NOS and a molecular weight of 579.72 g/mol. Its IUPAC name is N-spiro[fluorene-9,9'-thioxanthene]-3'-ylnaphtho[2,3-b][1]benzofuran-4-amine.

Molecular Properties

Compound NameN-spiro[fluorene-9,9'-thioxanthene]-3'-ylnaphtho[2,3-b][1]benzofuran-4-amine
PubChem CID166959966
Molecular FormulaC41H25NOS
Molecular Weight579.72 g/mol
Exact Mass579.17
IUPAC NameN-spiro[fluorene-9,9'-thioxanthene]-3'-ylnaphtho[2,3-b][1]benzofuran-4-amine
SMILESc1ccc2c(c1)Sc1cc(Nc3cccc4c3oc3cc5ccccc5cc34)ccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C41H25NOS/c1-2-11-26-23-37-31(22-25(26)10-1)30-14-9-18-36(40(30)43-37)42-27-20-21-35-39(24-27)44-38-19-8-7-17-34(38)41(35)32-15-5-3-12-28(32)29-13-4-6-16-33(29)41/h1-24,42H
InChIKeyDAKMPDPDVLBZPZ-UHFFFAOYSA-N
XLogP11.31
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.72
LogP ≤ 511.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-spiro[fluorene-9,9'-thioxanthene]-3'-ylnaphtho[2,3-b][1]benzofuran-4-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

N-(7'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran-1-amine
CID 169305108
N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine
CID 169305210
N-dibenzothiophen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine;N-spiro[fluorene-9,9'-thioxanthene]-1'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1-amine
CID 162029641
2,4-diphenyl-6-spiro[fluoreno[3,2-b][1]benzofuran-11,9'-thioxanthene]-4-yl-1,3,5-triazine
CID 167340470
6-(2,3,4,5,6-pentadeuteriophenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-2-amine;1-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-3-amine;8-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-4-amine
CID 167658609
N-[6-(4-fluorophenyl)dibenzothiophen-1-yl]spiro[fluorene-9,9'-thioxanthene]-3'-amine
CID 164707097
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 171730668
N-[3-(2-naphthalen-2-ylphenyl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-amine
CID 164707085
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-3'-yl-1,3,5-triazine
CID 142469829
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-(2-spiro[fluorene-9,9'-thioxanthene]-3'-ylphenyl)-1,3,5-triazine
CID 166738136
N-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 164794861
N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 166647190

Frequently Asked Questions

What is the IUPAC name of N-spiro[fluorene-9,9'-thioxanthene]-3'-ylnaphtho[2,3-b][1]benzofuran-4-amine?
The IUPAC name of N-spiro[fluorene-9,9'-thioxanthene]-3'-ylnaphtho[2,3-b][1]benzofuran-4-amine (CID 166959966) is N-spiro[fluorene-9,9'-thioxanthene]-3'-ylnaphtho[2,3-b][1]benzofuran-4-amine.
What is the SMILES notation for N-spiro[fluorene-9,9'-thioxanthene]-3'-ylnaphtho[2,3-b][1]benzofuran-4-amine?
The canonical SMILES for N-spiro[fluorene-9,9'-thioxanthene]-3'-ylnaphtho[2,3-b][1]benzofuran-4-amine is c1ccc2c(c1)Sc1cc(Nc3cccc4c3oc3cc5ccccc5cc34)ccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of N-spiro[fluorene-9,9'-thioxanthene]-3'-ylnaphtho[2,3-b][1]benzofuran-4-amine?
The InChIKey is DAKMPDPDVLBZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25NOS/c1-2-11-26-23-37-31(22-25(26)10-1)30-14-9-18-36(40(30)43-37)42-27-20-21-35-39(24-27)44-38-19-8-7-17-34(38)41(35)32-15-5-3-12-28(32)29-13-4-6-16-33(29)41/h1-24,42H.
What are the key properties of N-spiro[fluorene-9,9'-thioxanthene]-3'-ylnaphtho[2,3-b][1]benzofuran-4-amine?
N-spiro[fluorene-9,9'-thioxanthene]-3'-ylnaphtho[2,3-b][1]benzofuran-4-amine has a molecular weight of 579.72 g/mol, XLogP of 11.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-spiro[fluorene-9,9'-thioxanthene]-3'-ylnaphtho[2,3-b][1]benzofuran-4-amine is sourced from PubChem (CID 166959966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).