2',3'-dimethoxyspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]

C29H20O2S — CID 122220664

IUPAC2',3'-dimethoxyspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]
SMILESCOc1cc2c(cc1OC)C1(c3ccccc3-c3ccccc31)c1c-2sc2ccccc12
InChIInChI=1S/C29H20O2S/c1-30-24-15-20-23(16-25(24)31-2)29(27-19-11-5-8-14-26(19)32-28(20)27)21-12-6-3-9-17(21)18-10-4-7-13-22(18)29/h3-16H,1-2H3
InChIKeyWGQJBHWJDALLFF-UHFFFAOYSA-N
MW432.54 g/mol
LogP7.26
Rot. Bonds2

About 2',3'-dimethoxyspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]

2',3'-dimethoxyspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole] (PubChem CID 122220664) has the molecular formula C29H20O2S and a molecular weight of 432.54 g/mol. Its IUPAC name is 2',3'-dimethoxyspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole].

Molecular Properties

Compound Name2',3'-dimethoxyspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]
PubChem CID122220664
Molecular FormulaC29H20O2S
Molecular Weight432.54 g/mol
Exact Mass432.12
IUPAC Name2',3'-dimethoxyspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]
SMILESCOc1cc2c(cc1OC)C1(c3ccccc3-c3ccccc31)c1c-2sc2ccccc12
InChIInChI=1S/C29H20O2S/c1-30-24-15-20-23(16-25(24)31-2)29(27-19-11-5-8-14-26(19)32-28(20)27)21-12-6-3-9-17(21)18-10-4-7-13-22(18)29/h3-16H,1-2H3
InChIKeyWGQJBHWJDALLFF-UHFFFAOYSA-N
XLogP7.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.54
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dipyridin-4-yl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-yl-1,3,5-triazine
CID 134529390
N-phenyl-N-triphenylen-2-ylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine
CID 134551351
N-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine
CID 134551386
3-(10-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylanthracen-9-yl)pyridine
CID 126652979
8-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3'-ylquinoline
CID 134529399
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
2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylpyrimidine
CID 134529343
spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzothiole]
CID 122627254
N,2-diphenyl-N-[4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)phenyl]aniline
CID 134551410
11,11,19,19-tetraphenyl-3-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 138701792
4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophene
CID 102194736
2-[4-[4-[4-[6-naphthalen-1-yl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl-1,3,5-triazine
CID 134533556

Frequently Asked Questions

What is the IUPAC name of 2',3'-dimethoxyspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]?
The IUPAC name of 2',3'-dimethoxyspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole] (CID 122220664) is 2',3'-dimethoxyspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole].
What is the SMILES notation for 2',3'-dimethoxyspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]?
The canonical SMILES for 2',3'-dimethoxyspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole] is COc1cc2c(cc1OC)C1(c3ccccc3-c3ccccc31)c1c-2sc2ccccc12.
What is the InChIKey of 2',3'-dimethoxyspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]?
The InChIKey is WGQJBHWJDALLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20O2S/c1-30-24-15-20-23(16-25(24)31-2)29(27-19-11-5-8-14-26(19)32-28(20)27)21-12-6-3-9-17(21)18-10-4-7-13-22(18)29/h3-16H,1-2H3.
What are the key properties of 2',3'-dimethoxyspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]?
2',3'-dimethoxyspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole] has a molecular weight of 432.54 g/mol, XLogP of 7.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2',3'-dimethoxyspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole] is sourced from PubChem (CID 122220664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).