12H-fluoreno[2,1-b][1]benzothiole

C19H12S — CID 122434434

IUPAC12H-fluoreno[2,1-b][1]benzothiole
SMILESc1ccc2c(c1)Cc1c-2ccc2sc3ccccc3c12
InChIInChI=1S/C19H12S/c1-2-6-13-12(5-1)11-16-14(13)9-10-18-19(16)15-7-3-4-8-17(15)20-18/h1-10H,11H2
InChIKeyQJZNVTOZUAXDCL-UHFFFAOYSA-N
MW272.37 g/mol
LogP5.63
Rot. Bonds

About 12H-fluoreno[2,1-b][1]benzothiole

12H-fluoreno[2,1-b][1]benzothiole (PubChem CID 122434434) has the molecular formula C19H12S and a molecular weight of 272.37 g/mol. Its IUPAC name is 12H-fluoreno[2,1-b][1]benzothiole.

Molecular Properties

Compound Name12H-fluoreno[2,1-b][1]benzothiole
PubChem CID122434434
Molecular FormulaC19H12S
Molecular Weight272.37 g/mol
Exact Mass272.07
IUPAC Name12H-fluoreno[2,1-b][1]benzothiole
SMILESc1ccc2c(c1)Cc1c-2ccc2sc3ccccc3c12
InChIInChI=1S/C19H12S/c1-2-6-13-12(5-1)11-16-14(13)9-10-18-19(16)15-7-3-4-8-17(15)20-18/h1-10H,11H2
InChIKeyQJZNVTOZUAXDCL-UHFFFAOYSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.37
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[4-[N-(12H-fluoreno[2,1-b][1]benzothiol-2-yl)anilino]phenyl]phenyl]-N-phenyl-12H-fluoreno[2,1-b][1]benzothiol-2-amine
CID 154624006
1-(1-dibenzothiophen-1-yl-9H-fluoren-2-yl)-2-phenyl-9H-carbazole
CID 166135021
N-(2,3-diphenyl-9H-fluoren-1-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine
CID 166135046
9-thiaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaen-18-one
CID 101408170
28-thiaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene
CID 157334144
1-naphthalen-1-yl-11H-benzo[a]fluorene
CID 157136460
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
2-methyl-2,3-dihydro-1H-indeno[5,4-b][1]benzothiole
CID 141137697
13-thiaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.019,24]octacosa-1(17),2(14),3,5,7,9,11,15,18(27),19,21,23,25-tridecaene
CID 158729124
decacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene
CID 160943205
4-[2-(2,3-dimethyl-9H-fluoren-1-yl)-6-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzothiophen-1-yl]-3-phenylphenyl]triazine
CID 166134982
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine
CID 166134723

Frequently Asked Questions

What is the IUPAC name of 12H-fluoreno[2,1-b][1]benzothiole?
The IUPAC name of 12H-fluoreno[2,1-b][1]benzothiole (CID 122434434) is 12H-fluoreno[2,1-b][1]benzothiole.
What is the SMILES notation for 12H-fluoreno[2,1-b][1]benzothiole?
The canonical SMILES for 12H-fluoreno[2,1-b][1]benzothiole is c1ccc2c(c1)Cc1c-2ccc2sc3ccccc3c12.
What is the InChIKey of 12H-fluoreno[2,1-b][1]benzothiole?
The InChIKey is QJZNVTOZUAXDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12S/c1-2-6-13-12(5-1)11-16-14(13)9-10-18-19(16)15-7-3-4-8-17(15)20-18/h1-10H,11H2.
What are the key properties of 12H-fluoreno[2,1-b][1]benzothiole?
12H-fluoreno[2,1-b][1]benzothiole has a molecular weight of 272.37 g/mol, XLogP of 5.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12H-fluoreno[2,1-b][1]benzothiole is sourced from PubChem (CID 122434434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).