spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzothiole]

C31H18S — CID 122627254

IUPACspiro[fluorene-9,12'-fluoreno[1,2-b][1]benzothiole]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc3c(sc4ccccc43)c21
InChIInChI=1S/C31H18S/c1-5-13-25-19(9-1)20-10-2-6-14-26(20)31(25)27-15-7-3-11-21(27)23-17-18-24-22-12-4-8-16-28(22)32-30(24)29(23)31/h1-18H
InChIKeyUYQSGTNXDMFYQA-UHFFFAOYSA-N
MW422.55 g/mol
LogP8.40
Rot. Bonds

About spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzothiole]

spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzothiole] (PubChem CID 122627254) has the molecular formula C31H18S and a molecular weight of 422.55 g/mol. Its IUPAC name is spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzothiole].

Molecular Properties

Compound Namespiro[fluorene-9,12'-fluoreno[1,2-b][1]benzothiole]
PubChem CID122627254
Molecular FormulaC31H18S
Molecular Weight422.55 g/mol
Exact Mass422.11
IUPAC Namespiro[fluorene-9,12'-fluoreno[1,2-b][1]benzothiole]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc3c(sc4ccccc43)c21
InChIInChI=1S/C31H18S/c1-5-13-25-19(9-1)20-10-2-6-14-26(20)31(25)27-15-7-3-11-21(27)23-17-18-24-22-12-4-8-16-28(22)32-30(24)29(23)31/h1-18H
InChIKeyUYQSGTNXDMFYQA-UHFFFAOYSA-N
XLogP8.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.55
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzothiole] with MolForge

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Related Compounds

4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophene
CID 102194736
CID 129023539
CID 129023539
4-[4-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]phenyl]dibenzothiophene
CID 66686478
N,N-dimethyl-2-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-1-ylaniline
CID 159044706
CID 129023536
CID 129023536
N-(2-dibenzothiophen-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308634
4-spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene]-8'-yldibenzothiophene
CID 87946143
4-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene]-5'-yldibenzothiophene
CID 122413296
CID 129023545
CID 129023545
N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 171444458
1,8-di(dibenzothiophen-4-yl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 154970843
4-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115866

Frequently Asked Questions

What is the IUPAC name of spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzothiole]?
The IUPAC name of spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzothiole] (CID 122627254) is spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzothiole].
What is the SMILES notation for spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzothiole]?
The canonical SMILES for spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzothiole] is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc3c(sc4ccccc43)c21.
What is the InChIKey of spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzothiole]?
The InChIKey is UYQSGTNXDMFYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18S/c1-5-13-25-19(9-1)20-10-2-6-14-26(20)31(25)27-15-7-3-11-21(27)23-17-18-24-22-12-4-8-16-28(22)32-30(24)29(23)31/h1-18H.
What are the key properties of spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzothiole]?
spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzothiole] has a molecular weight of 422.55 g/mol, XLogP of 8.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzothiole] is sourced from PubChem (CID 122627254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).