benzo[e][1]benzothiole;benzo[f][1]benzothiole;bis(benzo[g][1]benzothiole);1-benzothiophene;bis(dibenzothiophene);4,6-diphenyldibenzothiophene;ethane;naphtho[1,2-b][1]benzothiole;12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C198H218S11 — CID 158948770

IUPACbenzo[e][1]benzothiole;benzo[f][1]benzothiole;bis(benzo[g][1]benzothiole);1-benzothiophene;bis(dibenzothiophene);4,6-diphenyldibenzothiophene;ethane;naphtho[1,2-b][1]benzothiole;12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2cccc3c2sc2c(-c4ccccc4)cccc23)cc1.c1ccc2c(c1)ccc1c2sc2ccc3ccccc3c21.c1ccc2c(c1)ccc1c3ccc4ccccc4c3sc21.c1ccc2c(c1)ccc1c3ccccc3sc21.c1ccc2c(c1)ccc1ccsc12.c1ccc2c(c1)ccc1ccsc12.c1ccc2c(c1)ccc1sccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2cc3sccc3cc2c1.c1ccc2sccc2c1
InChIInChI=1S/C24H16S.2C20H12S.C16H10S.6C12H8S.C8H6S.19C2H6/c1-3-9-17(10-4-1)19-13-7-15-21-22-16-8-14-20(24(22)25-23(19)21)18-11-5-2-6-12-18;1-3-7-15-13(5-1)10-12-18-19(15)17-11-9-14-6-2-4-8-16(14)20(17)21-18;1-3-7-15-13(5-1)9-11-17-18-12-10-14-6-2-4-8-16(14)20(18)21-19(15)17;1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-4-10-8-12-11(5-6-13-12)7-9(10)3-1;2*1-2-4-11-9(3-1)5-6-10-7-8-13-12(10)11;1-2-4-10-9(3-1)5-6-12-11(10)7-8-13-12;1-2-4-8-7(3-1)5-6-9-8;19*1-2/h1-16H;2*1-12H;1-10H;6*1-8H;1-6H;19*1-2H3
InChIKeyJLDSGHPQKXTDPY-UHFFFAOYSA-N
MW2950.66 g/mol
LogP72.04
Rot. Bonds2

About benzo[e][1]benzothiole;benzo[f][1]benzothiole;bis(benzo[g][1]benzothiole);1-benzothiophene;bis(dibenzothiophene);4,6-diphenyldibenzothiophene;ethane;naphtho[1,2-b][1]benzothiole;12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

benzo[e][1]benzothiole;benzo[f][1]benzothiole;bis(benzo[g][1]benzothiole);1-benzothiophene;bis(dibenzothiophene);4,6-diphenyldibenzothiophene;ethane;naphtho[1,2-b][1]benzothiole;12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 158948770) has the molecular formula C198H218S11 and a molecular weight of 2950.66 g/mol. Its IUPAC name is benzo[e][1]benzothiole;benzo[f][1]benzothiole;bis(benzo[g][1]benzothiole);1-benzothiophene;bis(dibenzothiophene);4,6-diphenyldibenzothiophene;ethane;naphtho[1,2-b][1]benzothiole;12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

Compound Namebenzo[e][1]benzothiole;benzo[f][1]benzothiole;bis(benzo[g][1]benzothiole);1-benzothiophene;bis(dibenzothiophene);4,6-diphenyldibenzothiophene;ethane;naphtho[1,2-b][1]benzothiole;12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
PubChem CID158948770
Molecular FormulaC198H218S11
Molecular Weight2950.66 g/mol
Exact Mass2947.40
IUPAC Namebenzo[e][1]benzothiole;benzo[f][1]benzothiole;bis(benzo[g][1]benzothiole);1-benzothiophene;bis(dibenzothiophene);4,6-diphenyldibenzothiophene;ethane;naphtho[1,2-b][1]benzothiole;12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2cccc3c2sc2c(-c4ccccc4)cccc23)cc1.c1ccc2c(c1)ccc1c2sc2ccc3ccccc3c21.c1ccc2c(c1)ccc1c3ccc4ccccc4c3sc21.c1ccc2c(c1)ccc1c3ccccc3sc21.c1ccc2c(c1)ccc1ccsc12.c1ccc2c(c1)ccc1ccsc12.c1ccc2c(c1)ccc1sccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2cc3sccc3cc2c1.c1ccc2sccc2c1
InChIInChI=1S/C24H16S.2C20H12S.C16H10S.6C12H8S.C8H6S.19C2H6/c1-3-9-17(10-4-1)19-13-7-15-21-22-16-8-14-20(24(22)25-23(19)21)18-11-5-2-6-12-18;1-3-7-15-13(5-1)10-12-18-19(15)17-11-9-14-6-2-4-8-16(14)20(17)21-18;1-3-7-15-13(5-1)9-11-17-18-12-10-14-6-2-4-8-16(14)20(18)21-19(15)17;1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-4-10-8-12-11(5-6-13-12)7-9(10)3-1;2*1-2-4-11-9(3-1)5-6-10-7-8-13-12(10)11;1-2-4-10-9(3-1)5-6-12-11(10)7-8-13-12;1-2-4-8-7(3-1)5-6-9-8;19*1-2/h1-16H;2*1-12H;1-10H;6*1-8H;1-6H;19*1-2H3
InChIKeyJLDSGHPQKXTDPY-UHFFFAOYSA-N
XLogP72.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002950.66
LogP ≤ 572.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze benzo[e][1]benzothiole;benzo[f][1]benzothiole;bis(benzo[g][1]benzothiole);1-benzothiophene;bis(dibenzothiophene);4,6-diphenyldibenzothiophene;ethane;naphtho[1,2-b][1]benzothiole;12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene with MolForge

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Related Compounds

anthra[2,1-b][1]benzothiole;ethane;tris(naphtho[1,2-b][1]benzothiole);22-thiahexacyclo[12.11.0.03,12.05,10.015,23.016,21]pentacosa-1,3,5,7,9,11,13,15(23),16,18,20,24-dodecaene;21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 157135839
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 137392432
N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-phenylphenanthren-3-amine
CID 165003854
8-(3-methylphenyl)naphtho[2,1-b][1]benzothiole
CID 166880433
7-N-dibenzothiophen-2-yl-7-N-(4-dibenzothiophen-4-ylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-(4-dibenzothiophen-4-ylphenyl)-7-N-(4-naphthalen-1-ylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-naphtho[1,2-b][1]benzothiol-8-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 157139417
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene;4,6-bis[4-(6-phenyldibenzothiophen-4-yl)phenyl]dibenzothiophene;10-(7-tert-butyltriphenylen-2-yl)naphtho[1,2-b][1]benzothiole;10-chrysen-2-ylnaphtho[1,2-b][1]benzothiole;10-chrysen-3-ylnaphtho[1,2-b][1]benzothiole;10-(4-phenanthren-3-ylphenyl)naphtho[1,2-b][1]benzothiole;10-triphenylen-2-ylnaphtho[1,2-b][1]benzothiole;10-(4-triphenylen-2-ylphenyl)naphtho[1,2-b][1]benzothiole
CID 159164531
N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-(4-phenanthren-3-ylphenyl)-4-phenylaniline
CID 165074957
8-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzothiole
CID 122426590
7-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzothiole
CID 176744457
10-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole
CID 122425736
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-(4-phenylphenyl)aniline
CID 137392484
2-(8-chrysen-2-yldibenzothiophen-1-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 134199250

Frequently Asked Questions

What is the IUPAC name of benzo[e][1]benzothiole;benzo[f][1]benzothiole;bis(benzo[g][1]benzothiole);1-benzothiophene;bis(dibenzothiophene);4,6-diphenyldibenzothiophene;ethane;naphtho[1,2-b][1]benzothiole;12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The IUPAC name of benzo[e][1]benzothiole;benzo[f][1]benzothiole;bis(benzo[g][1]benzothiole);1-benzothiophene;bis(dibenzothiophene);4,6-diphenyldibenzothiophene;ethane;naphtho[1,2-b][1]benzothiole;12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 158948770) is benzo[e][1]benzothiole;benzo[f][1]benzothiole;bis(benzo[g][1]benzothiole);1-benzothiophene;bis(dibenzothiophene);4,6-diphenyldibenzothiophene;ethane;naphtho[1,2-b][1]benzothiole;12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.
What is the SMILES notation for benzo[e][1]benzothiole;benzo[f][1]benzothiole;bis(benzo[g][1]benzothiole);1-benzothiophene;bis(dibenzothiophene);4,6-diphenyldibenzothiophene;ethane;naphtho[1,2-b][1]benzothiole;12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The canonical SMILES for benzo[e][1]benzothiole;benzo[f][1]benzothiole;bis(benzo[g][1]benzothiole);1-benzothiophene;bis(dibenzothiophene);4,6-diphenyldibenzothiophene;ethane;naphtho[1,2-b][1]benzothiole;12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2cccc3c2sc2c(-c4ccccc4)cccc23)cc1.c1ccc2c(c1)ccc1c2sc2ccc3ccccc3c21.c1ccc2c(c1)ccc1c3ccc4ccccc4c3sc21.c1ccc2c(c1)ccc1c3ccccc3sc21.c1ccc2c(c1)ccc1ccsc12.c1ccc2c(c1)ccc1ccsc12.c1ccc2c(c1)ccc1sccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2cc3sccc3cc2c1.c1ccc2sccc2c1.
What is the InChIKey of benzo[e][1]benzothiole;benzo[f][1]benzothiole;bis(benzo[g][1]benzothiole);1-benzothiophene;bis(dibenzothiophene);4,6-diphenyldibenzothiophene;ethane;naphtho[1,2-b][1]benzothiole;12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The InChIKey is JLDSGHPQKXTDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16S.2C20H12S.C16H10S.6C12H8S.C8H6S.19C2H6/c1-3-9-17(10-4-1)19-13-7-15-21-22-16-8-14-20(24(22)25-23(19)21)18-11-5-2-6-12-18;1-3-7-15-13(5-1)10-12-18-19(15)17-11-9-14-6-2-4-8-16(14)20(17)21-18;1-3-7-15-13(5-1)9-11-17-18-12-10-14-6-2-4-8-16(14)20(18)21-19(15)17;1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-4-10-8-12-11(5-6-13-12)7-9(10)3-1;2*1-2-4-11-9(3-1)5-6-10-7-8-13-12(10)11;1-2-4-10-9(3-1)5-6-12-11(10)7-8-13-12;1-2-4-8-7(3-1)5-6-9-8;19*1-2/h1-16H;2*1-12H;1-10H;6*1-8H;1-6H;19*1-2H3.
What are the key properties of benzo[e][1]benzothiole;benzo[f][1]benzothiole;bis(benzo[g][1]benzothiole);1-benzothiophene;bis(dibenzothiophene);4,6-diphenyldibenzothiophene;ethane;naphtho[1,2-b][1]benzothiole;12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
benzo[e][1]benzothiole;benzo[f][1]benzothiole;bis(benzo[g][1]benzothiole);1-benzothiophene;bis(dibenzothiophene);4,6-diphenyldibenzothiophene;ethane;naphtho[1,2-b][1]benzothiole;12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 2950.66 g/mol, XLogP of 72.04, 2 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[e][1]benzothiole;benzo[f][1]benzothiole;bis(benzo[g][1]benzothiole);1-benzothiophene;bis(dibenzothiophene);4,6-diphenyldibenzothiophene;ethane;naphtho[1,2-b][1]benzothiole;12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 158948770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).