11-fluoren-9-ylidenefluoreno[3,2-b][1]benzothiole

C32H18S — CID 134951184

IUPAC11-fluoren-9-ylidenefluoreno[3,2-b][1]benzothiole
SMILESc1ccc2c(c1)C(=C1c3ccccc3-c3cc4sc5ccccc5c4cc31)c1ccccc1-2
InChIInChI=1S/C32H18S/c1-4-13-23-19(9-1)20-10-2-5-14-24(20)31(23)32-25-15-6-3-11-21(25)26-18-30-27(17-28(26)32)22-12-7-8-16-29(22)33-30/h1-18H
InChIKeyFZTARQAAUVTERX-UHFFFAOYSA-N
MW434.56 g/mol
LogP9.02
Rot. Bonds

About 11-fluoren-9-ylidenefluoreno[3,2-b][1]benzothiole

11-fluoren-9-ylidenefluoreno[3,2-b][1]benzothiole (PubChem CID 134951184) has the molecular formula C32H18S and a molecular weight of 434.56 g/mol. Its IUPAC name is 11-fluoren-9-ylidenefluoreno[3,2-b][1]benzothiole.

Molecular Properties

Compound Name11-fluoren-9-ylidenefluoreno[3,2-b][1]benzothiole
PubChem CID134951184
Molecular FormulaC32H18S
Molecular Weight434.56 g/mol
Exact Mass434.11
IUPAC Name11-fluoren-9-ylidenefluoreno[3,2-b][1]benzothiole
SMILESc1ccc2c(c1)C(=C1c3ccccc3-c3cc4sc5ccccc5c4cc31)c1ccccc1-2
InChIInChI=1S/C32H18S/c1-4-13-23-19(9-1)20-10-2-5-14-24(20)31(23)32-25-15-6-3-11-21(25)26-18-30-27(17-28(26)32)22-12-7-8-16-29(22)33-30/h1-18H
InChIKeyFZTARQAAUVTERX-UHFFFAOYSA-N
XLogP9.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.56
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

11-thianonacyclo[25.11.0.02,14.04,12.05,10.015,20.021,26.029,37.031,36]octatriaconta-1(27),2(14),3,5,7,9,12,15,17,19,21,23,25,28,31,33,35,37-octadecaene
CID 118655955
2-(40-tetradecacyclo[42.16.0.02,19.04,17.05,10.011,16.020,37.022,35.023,28.029,34.038,43.046,59.047,52.053,58]hexaconta-1(44),2(19),3,5,7,9,11,13,15,17,20(37),21,23,25,27,29,31,33,35,38(43),39,41,45,47,49,51,53,55,57,59-triacontaenyl)dibenzothiophene
CID 134429068
10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene
CID 70846389
dibenzothiophene;methane
CID 162233710
2-(9-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene
CID 134428982
3-iododibenzothiophene
CID 86150547
naphtho[2,3-b]thioxanthene-7,12,14-trione
CID 71049201
bis(dibenzothiophene);ethane
CID 143921746
4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 135277463
8,9-diiodo-5,15,25-trithiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2,4(12),6,8,10,13,17,19,21,23,26-dodecaene
CID 166787448
2-(12-dibenzothiophen-2-yl-4-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene
CID 134428991
2-(6-dibenzothiophen-2-yl-10-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(11-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(15-dibenzothiophen-2-yl-6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-3-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-4-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene;2-(16-dibenzothiophen-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene
CID 158901330

Frequently Asked Questions

What is the IUPAC name of 11-fluoren-9-ylidenefluoreno[3,2-b][1]benzothiole?
The IUPAC name of 11-fluoren-9-ylidenefluoreno[3,2-b][1]benzothiole (CID 134951184) is 11-fluoren-9-ylidenefluoreno[3,2-b][1]benzothiole.
What is the SMILES notation for 11-fluoren-9-ylidenefluoreno[3,2-b][1]benzothiole?
The canonical SMILES for 11-fluoren-9-ylidenefluoreno[3,2-b][1]benzothiole is c1ccc2c(c1)C(=C1c3ccccc3-c3cc4sc5ccccc5c4cc31)c1ccccc1-2.
What is the InChIKey of 11-fluoren-9-ylidenefluoreno[3,2-b][1]benzothiole?
The InChIKey is FZTARQAAUVTERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18S/c1-4-13-23-19(9-1)20-10-2-5-14-24(20)31(23)32-25-15-6-3-11-21(25)26-18-30-27(17-28(26)32)22-12-7-8-16-29(22)33-30/h1-18H.
What are the key properties of 11-fluoren-9-ylidenefluoreno[3,2-b][1]benzothiole?
11-fluoren-9-ylidenefluoreno[3,2-b][1]benzothiole has a molecular weight of 434.56 g/mol, XLogP of 9.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-fluoren-9-ylidenefluoreno[3,2-b][1]benzothiole is sourced from PubChem (CID 134951184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).