spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]

C27H16S — CID 134529610

IUPACspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1sc1ccccc21
InChIInChI=1S/C27H16S/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)27(21)23-15-7-3-11-19(23)25-20-12-4-8-16-24(20)28-26(25)27/h1-16H
InChIKeyGTHTZJRIBMBYBJ-UHFFFAOYSA-N
MW372.49 g/mol
LogP7.24
Rot. Bonds

About spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]

spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole] (PubChem CID 134529610) has the molecular formula C27H16S and a molecular weight of 372.49 g/mol. Its IUPAC name is spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole].

Molecular Properties

Compound Namespiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]
PubChem CID134529610
Molecular FormulaC27H16S
Molecular Weight372.49 g/mol
Exact Mass372.10
IUPAC Namespiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1sc1ccccc21
InChIInChI=1S/C27H16S/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)27(21)23-15-7-3-11-19(23)25-20-12-4-8-16-24(20)28-26(25)27/h1-16H
InChIKeyGTHTZJRIBMBYBJ-UHFFFAOYSA-N
XLogP7.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,1-N,4-N-triphenyl-4-N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylbenzene-1,4-diamine
CID 134551493
CID 86241062
CID 86241062
2-N-phenyl-2-N,8-N',8-N'-tris(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
CID 134529798
(9S)-2-N-(9,9-diphenylfluoren-2-yl)-2-N,8-N',8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
CID 134533543
4-phenyl-2-(4-phenylphenyl)-6-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyrimidine
CID 134529499
2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylpyridine
CID 134529541
2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyrimidine
CID 134529484
2-N-naphthalen-1-yl-2-N,8-N',8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
CID 134529814
2-N-(4-naphthalen-1-ylphenyl)-2-N,8-N',8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
CID 134529809
2-naphthalen-1-yl-4-phenyl-6-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)-1,3,5-triazine
CID 134529459
4-naphthalen-2-yl-6-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine
CID 154619119
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-amine
CID 134551462

Frequently Asked Questions

What is the IUPAC name of spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]?
The IUPAC name of spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole] (CID 134529610) is spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole].
What is the SMILES notation for spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]?
The canonical SMILES for spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole] is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1sc1ccccc21.
What is the InChIKey of spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]?
The InChIKey is GTHTZJRIBMBYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16S/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)27(21)23-15-7-3-11-19(23)25-20-12-4-8-16-24(20)28-26(25)27/h1-16H.
What are the key properties of spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]?
spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole] has a molecular weight of 372.49 g/mol, XLogP of 7.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole] is sourced from PubChem (CID 134529610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).