8-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3'-ylquinoline

C36H21NS — CID 134529399

IUPAC8-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3'-ylquinoline
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccc(-c3cccc4cccnc34)cc2-c2sc3ccccc3c21
InChIInChI=1S/C36H21NS/c1-4-15-29-25(11-1)26-12-2-5-16-30(26)36(29)31-19-18-23(24-14-7-9-22-10-8-20-37-34(22)24)21-28(31)35-33(36)27-13-3-6-17-32(27)38-35/h1-21H
InChIKeyMWZLAJSQWUPXBL-UHFFFAOYSA-N
MW499.64 g/mol
LogP9.46
Rot. Bonds1

About 8-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3'-ylquinoline

8-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3'-ylquinoline (PubChem CID 134529399) has the molecular formula C36H21NS and a molecular weight of 499.64 g/mol. Its IUPAC name is 8-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3'-ylquinoline.

Molecular Properties

Compound Name8-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3'-ylquinoline
PubChem CID134529399
Molecular FormulaC36H21NS
Molecular Weight499.64 g/mol
Exact Mass499.14
IUPAC Name8-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3'-ylquinoline
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccc(-c3cccc4cccnc34)cc2-c2sc3ccccc3c21
InChIInChI=1S/C36H21NS/c1-4-15-29-25(11-1)26-12-2-5-16-30(26)36(29)31-19-18-23(24-14-7-9-22-10-8-20-37-34(22)24)21-28(31)35-33(36)27-13-3-6-17-32(27)38-35/h1-21H
InChIKeyMWZLAJSQWUPXBL-UHFFFAOYSA-N
XLogP9.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.64
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
CID 129023545
CID 129023545
8-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]quinoline
CID 167177391
2-phenyl-4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3-ylphenyl)pyrimidine
CID 134529406
2,4-dipyridin-4-yl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-yl-1,3,5-triazine
CID 134529390
3-(10-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylanthracen-9-yl)pyridine
CID 126652979
2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylpyrimidine
CID 134529343
3'-quinolin-8-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 146494736
4,20-di(dibenzothiophen-4-yl)-10,26-diazaheptacyclo[22.8.0.02,7.08,17.09,14.018,23.025,30]dotriaconta-1(24),2(7),3,5,8(17),9(14),10,12,15,18(23),19,21,25(30),26,28,31-hexadecaene
CID 137294981
8-[4-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 146648983
2-phenyl-6-(4-phenylphenyl)-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1'-ylphenyl)pyridine
CID 134529350
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

Frequently Asked Questions

What is the IUPAC name of 8-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3'-ylquinoline?
The IUPAC name of 8-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3'-ylquinoline (CID 134529399) is 8-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3'-ylquinoline.
What is the SMILES notation for 8-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3'-ylquinoline?
The canonical SMILES for 8-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3'-ylquinoline is c1ccc2c(c1)-c1ccccc1C21c2ccc(-c3cccc4cccnc34)cc2-c2sc3ccccc3c21.
What is the InChIKey of 8-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3'-ylquinoline?
The InChIKey is MWZLAJSQWUPXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21NS/c1-4-15-29-25(11-1)26-12-2-5-16-30(26)36(29)31-19-18-23(24-14-7-9-22-10-8-20-37-34(22)24)21-28(31)35-33(36)27-13-3-6-17-32(27)38-35/h1-21H.
What are the key properties of 8-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3'-ylquinoline?
8-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3'-ylquinoline has a molecular weight of 499.64 g/mol, XLogP of 9.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3'-ylquinoline is sourced from PubChem (CID 134529399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).