10-carbazol-9-ylspiro[fluoreno[4,3-b][1]benzothiole-7,1'-naphthalene]-2'-one

C40H23NOS — CID 155936310

IUPAC10-carbazol-9-ylspiro[fluoreno[4,3-b][1]benzothiole-7,1'-naphthalene]-2'-one
SMILESO=C1C=Cc2ccccc2C12c1ccc(-n3c4ccccc4c4ccccc43)cc1-c1c2ccc2c1sc1ccccc12
InChIInChI=1S/C40H23NOS/c42-37-22-17-24-9-1-5-13-31(24)40(37)32-20-18-25(41-34-14-6-2-10-26(34)27-11-3-7-15-35(27)41)23-30(32)38-33(40)21-19-29-28-12-4-8-16-36(28)43-39(29)38/h1-23H
InChIKeyFVIQELVRAYQMTI-UHFFFAOYSA-N
MW565.70 g/mol
LogP10.06
Rot. Bonds1

About 10-carbazol-9-ylspiro[fluoreno[4,3-b][1]benzothiole-7,1'-naphthalene]-2'-one

10-carbazol-9-ylspiro[fluoreno[4,3-b][1]benzothiole-7,1'-naphthalene]-2'-one (PubChem CID 155936310) has the molecular formula C40H23NOS and a molecular weight of 565.70 g/mol. Its IUPAC name is 10-carbazol-9-ylspiro[fluoreno[4,3-b][1]benzothiole-7,1'-naphthalene]-2'-one.

Molecular Properties

Compound Name10-carbazol-9-ylspiro[fluoreno[4,3-b][1]benzothiole-7,1'-naphthalene]-2'-one
PubChem CID155936310
Molecular FormulaC40H23NOS
Molecular Weight565.70 g/mol
Exact Mass565.15
IUPAC Name10-carbazol-9-ylspiro[fluoreno[4,3-b][1]benzothiole-7,1'-naphthalene]-2'-one
SMILESO=C1C=Cc2ccccc2C12c1ccc(-n3c4ccccc4c4ccccc43)cc1-c1c2ccc2c1sc1ccccc12
InChIInChI=1S/C40H23NOS/c42-37-22-17-24-9-1-5-13-31(24)40(37)32-20-18-25(41-34-14-6-2-10-26(34)27-11-3-7-15-35(27)41)23-30(32)38-33(40)21-19-29-28-12-4-8-16-36(28)43-39(29)38/h1-23H
InChIKeyFVIQELVRAYQMTI-UHFFFAOYSA-N
XLogP10.06
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.70
LogP ≤ 510.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-carbazol-9-ylspiro[fluoreno[4,3-b][1]benzothiole-7,1'-naphthalene]-2'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-carbazol-9-ylspiro[fluoreno[4,3-b][1]benzothiole-7,1'-naphthalene]-2'-one?
The IUPAC name of 10-carbazol-9-ylspiro[fluoreno[4,3-b][1]benzothiole-7,1'-naphthalene]-2'-one (CID 155936310) is 10-carbazol-9-ylspiro[fluoreno[4,3-b][1]benzothiole-7,1'-naphthalene]-2'-one.
What is the SMILES notation for 10-carbazol-9-ylspiro[fluoreno[4,3-b][1]benzothiole-7,1'-naphthalene]-2'-one?
The canonical SMILES for 10-carbazol-9-ylspiro[fluoreno[4,3-b][1]benzothiole-7,1'-naphthalene]-2'-one is O=C1C=Cc2ccccc2C12c1ccc(-n3c4ccccc4c4ccccc43)cc1-c1c2ccc2c1sc1ccccc12.
What is the InChIKey of 10-carbazol-9-ylspiro[fluoreno[4,3-b][1]benzothiole-7,1'-naphthalene]-2'-one?
The InChIKey is FVIQELVRAYQMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23NOS/c42-37-22-17-24-9-1-5-13-31(24)40(37)32-20-18-25(41-34-14-6-2-10-26(34)27-11-3-7-15-35(27)41)23-30(32)38-33(40)21-19-29-28-12-4-8-16-36(28)43-39(29)38/h1-23H.
What are the key properties of 10-carbazol-9-ylspiro[fluoreno[4,3-b][1]benzothiole-7,1'-naphthalene]-2'-one?
10-carbazol-9-ylspiro[fluoreno[4,3-b][1]benzothiole-7,1'-naphthalene]-2'-one has a molecular weight of 565.70 g/mol, XLogP of 10.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-carbazol-9-ylspiro[fluoreno[4,3-b][1]benzothiole-7,1'-naphthalene]-2'-one is sourced from PubChem (CID 155936310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).