2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylquinoxaline

C35H20N2S — CID 134529429

IUPAC2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylquinoxaline
SMILESc1ccc2c(c1)-c1sc3ccccc3c1C21c2ccccc2-c2c(-c3cnc4ccccc4n3)cccc21
InChIInChI=1S/C35H20N2S/c1-4-14-25-21(10-1)32-23(30-20-36-28-17-6-7-18-29(28)37-30)13-9-16-27(32)35(25)26-15-5-2-11-22(26)34-33(35)24-12-3-8-19-31(24)38-34/h1-20H
InChIKeyLEVKNSNSEBLGMH-UHFFFAOYSA-N
MW500.63 g/mol
LogP8.85
Rot. Bonds1

About 2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylquinoxaline

2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylquinoxaline (PubChem CID 134529429) has the molecular formula C35H20N2S and a molecular weight of 500.63 g/mol. Its IUPAC name is 2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylquinoxaline.

Molecular Properties

Compound Name2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylquinoxaline
PubChem CID134529429
Molecular FormulaC35H20N2S
Molecular Weight500.63 g/mol
Exact Mass500.13
IUPAC Name2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylquinoxaline
SMILESc1ccc2c(c1)-c1sc3ccccc3c1C21c2ccccc2-c2c(-c3cnc4ccccc4n3)cccc21
InChIInChI=1S/C35H20N2S/c1-4-14-25-21(10-1)32-23(30-20-36-28-17-6-7-18-29(28)37-30)13-9-16-27(32)35(25)26-15-5-2-11-22(26)34-33(35)24-12-3-8-19-31(24)38-34/h1-20H
InChIKeyLEVKNSNSEBLGMH-UHFFFAOYSA-N
XLogP8.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.63
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3'-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylpyrimidine
CID 161452910
2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-yl-1H-benzimidazole
CID 154619108
4-(5-phenylpyren-1-yl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]
CID 121307991
2-(3-methyl-1-benzothiophen-2-yl)quinoxaline
CID 14099248
2,4-dipyridin-4-yl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-yl-1,3,5-triazine
CID 134529390
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3-ylphenyl)-1,3,5-triazine
CID 134529357
3-(10-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylanthracen-9-yl)pyridine
CID 126652979
2-naphthalen-2-yl-4-phenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylphenyl)-1,3,5-triazine;4-phenyl-2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-ylphenyl)pyrimidine
CID 162152564
11-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[2,3-b]quinoline
CID 138661461
2-phenyl-4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3-ylphenyl)pyrimidine
CID 134529406
4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603284
5-bromo-2-(10-phenylindeno[1,2-b][1]benzothiol-10-yl)pyridine
CID 142730997

Frequently Asked Questions

What is the IUPAC name of 2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylquinoxaline?
The IUPAC name of 2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylquinoxaline (CID 134529429) is 2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylquinoxaline.
What is the SMILES notation for 2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylquinoxaline?
The canonical SMILES for 2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylquinoxaline is c1ccc2c(c1)-c1sc3ccccc3c1C21c2ccccc2-c2c(-c3cnc4ccccc4n3)cccc21.
What is the InChIKey of 2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylquinoxaline?
The InChIKey is LEVKNSNSEBLGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20N2S/c1-4-14-25-21(10-1)32-23(30-20-36-28-17-6-7-18-29(28)37-30)13-9-16-27(32)35(25)26-15-5-2-11-22(26)34-33(35)24-12-3-8-19-31(24)38-34/h1-20H.
What are the key properties of 2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylquinoxaline?
2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylquinoxaline has a molecular weight of 500.63 g/mol, XLogP of 8.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylquinoxaline is sourced from PubChem (CID 134529429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).