About 2-methyl-7-(2-methyl-[1]benzothiolo[6,5-b][1]benzothiol-7-yl)-[1]benzothiolo[6,5-b][1]benzothiole;3-methyl-9-(3-methylnaphtho[1,2-b][1]benzothiol-9-yl)naphtho[1,2-b][1]benzothiole;8-methyl-3-(8-methylnaphtho[2,3-b][1]benzothiol-3-yl)naphtho[2,3-b][1]benzothiole;5-methyl-12-(5-methyl-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaen-12-yl)-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaene;5-methyl-12-(5-methyl-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaen-12-yl)-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaene;12-methyl-5-(12-methyl-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaen-5-yl)-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaene;12-methyl-5-(12-methyl-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaen-5-yl)-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaene;9-naphtho[2,3-b][1]benzothiol-9-ylnaphtho[2,3-b][1]benzothiole;6-(12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-6-yl)-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;7-(12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-yl)-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
2-methyl-7-(2-methyl-[1]benzothiolo[6,5-b][1]benzothiol-7-yl)-[1]benzothiolo[6,5-b][1]benzothiole;3-methyl-9-(3-methylnaphtho[1,2-b][1]benzothiol-9-yl)naphtho[1,2-b][1]benzothiole;8-methyl-3-(8-methylnaphtho[2,3-b][1]benzothiol-3-yl)naphtho[2,3-b][1]benzothiole;5-methyl-12-(5-methyl-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaen-12-yl)-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaene;5-methyl-12-(5-methyl-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaen-12-yl)-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaene;12-methyl-5-(12-methyl-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaen-5-yl)-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaene;12-methyl-5-(12-methyl-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaen-5-yl)-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaene;9-naphtho[2,3-b][1]benzothiol-9-ylnaphtho[2,3-b][1]benzothiole;6-(12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-6-yl)-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;7-(12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-yl)-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene (PubChem CID 158540432) has the molecular formula C314H180S38
and a molecular weight of 5171.44 g/mol. Its IUPAC name is 2-methyl-7-(2-methyl-[1]benzothiolo[6,5-b][1]benzothiol-7-yl)-[1]benzothiolo[6,5-b][1]benzothiole;3-methyl-9-(3-methylnaphtho[1,2-b][1]benzothiol-9-yl)naphtho[1,2-b][1]benzothiole;8-methyl-3-(8-methylnaphtho[2,3-b][1]benzothiol-3-yl)naphtho[2,3-b][1]benzothiole;5-methyl-12-(5-methyl-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaen-12-yl)-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaene;5-methyl-12-(5-methyl-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaen-12-yl)-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaene;12-methyl-5-(12-methyl-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaen-5-yl)-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaene;12-methyl-5-(12-methyl-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaen-5-yl)-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaene;9-naphtho[2,3-b][1]benzothiol-9-ylnaphtho[2,3-b][1]benzothiole;6-(12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-6-yl)-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;7-(12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-yl)-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene.
Frequently Asked Questions
What is the IUPAC name of 2-methyl-7-(2-methyl-[1]benzothiolo[6,5-b][1]benzothiol-7-yl)-[1]benzothiolo[6,5-b][1]benzothiole;3-methyl-9-(3-methylnaphtho[1,2-b][1]benzothiol-9-yl)naphtho[1,2-b][1]benzothiole;8-methyl-3-(8-methylnaphtho[2,3-b][1]benzothiol-3-yl)naphtho[2,3-b][1]benzothiole;5-methyl-12-(5-methyl-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaen-12-yl)-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaene;5-methyl-12-(5-methyl-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaen-12-yl)-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaene;12-methyl-5-(12-methyl-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaen-5-yl)-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaene;12-methyl-5-(12-methyl-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaen-5-yl)-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaene;9-naphtho[2,3-b][1]benzothiol-9-ylnaphtho[2,3-b][1]benzothiole;6-(12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-6-yl)-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;7-(12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-yl)-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?
The IUPAC name of 2-methyl-7-(2-methyl-[1]benzothiolo[6,5-b][1]benzothiol-7-yl)-[1]benzothiolo[6,5-b][1]benzothiole;3-methyl-9-(3-methylnaphtho[1,2-b][1]benzothiol-9-yl)naphtho[1,2-b][1]benzothiole;8-methyl-3-(8-methylnaphtho[2,3-b][1]benzothiol-3-yl)naphtho[2,3-b][1]benzothiole;5-methyl-12-(5-methyl-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaen-12-yl)-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaene;5-methyl-12-(5-methyl-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaen-12-yl)-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaene;12-methyl-5-(12-methyl-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaen-5-yl)-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaene;12-methyl-5-(12-methyl-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaen-5-yl)-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaene;9-naphtho[2,3-b][1]benzothiol-9-ylnaphtho[2,3-b][1]benzothiole;6-(12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-6-yl)-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;7-(12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-yl)-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene (CID 158540432) is 2-methyl-7-(2-methyl-[1]benzothiolo[6,5-b][1]benzothiol-7-yl)-[1]benzothiolo[6,5-b][1]benzothiole;3-methyl-9-(3-methylnaphtho[1,2-b][1]benzothiol-9-yl)naphtho[1,2-b][1]benzothiole;8-methyl-3-(8-methylnaphtho[2,3-b][1]benzothiol-3-yl)naphtho[2,3-b][1]benzothiole;5-methyl-12-(5-methyl-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaen-12-yl)-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaene;5-methyl-12-(5-methyl-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaen-12-yl)-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaene;12-methyl-5-(12-methyl-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaen-5-yl)-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaene;12-methyl-5-(12-methyl-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaen-5-yl)-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaene;9-naphtho[2,3-b][1]benzothiol-9-ylnaphtho[2,3-b][1]benzothiole;6-(12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-6-yl)-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;7-(12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-yl)-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene.
What is the SMILES notation for 2-methyl-7-(2-methyl-[1]benzothiolo[6,5-b][1]benzothiol-7-yl)-[1]benzothiolo[6,5-b][1]benzothiole;3-methyl-9-(3-methylnaphtho[1,2-b][1]benzothiol-9-yl)naphtho[1,2-b][1]benzothiole;8-methyl-3-(8-methylnaphtho[2,3-b][1]benzothiol-3-yl)naphtho[2,3-b][1]benzothiole;5-methyl-12-(5-methyl-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaen-12-yl)-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaene;5-methyl-12-(5-methyl-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaen-12-yl)-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaene;12-methyl-5-(12-methyl-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaen-5-yl)-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaene;12-methyl-5-(12-methyl-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaen-5-yl)-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaene;9-naphtho[2,3-b][1]benzothiol-9-ylnaphtho[2,3-b][1]benzothiole;6-(12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-6-yl)-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;7-(12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-yl)-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?
The canonical SMILES for 2-methyl-7-(2-methyl-[1]benzothiolo[6,5-b][1]benzothiol-7-yl)-[1]benzothiolo[6,5-b][1]benzothiole;3-methyl-9-(3-methylnaphtho[1,2-b][1]benzothiol-9-yl)naphtho[1,2-b][1]benzothiole;8-methyl-3-(8-methylnaphtho[2,3-b][1]benzothiol-3-yl)naphtho[2,3-b][1]benzothiole;5-methyl-12-(5-methyl-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaen-12-yl)-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaene;5-methyl-12-(5-methyl-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaen-12-yl)-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaene;12-methyl-5-(12-methyl-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaen-5-yl)-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaene;12-methyl-5-(12-methyl-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaen-5-yl)-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaene;9-naphtho[2,3-b][1]benzothiol-9-ylnaphtho[2,3-b][1]benzothiole;6-(12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-6-yl)-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;7-(12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-yl)-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene is Cc1cc2cc3c(cc2s1)sc1cc(-c2cc4sc5cc6sc(C)cc6cc5c4s2)sc13.Cc1cc2cc3c(cc2s1)sc1cc(-c2ccc4c(c2)sc2cc5sc(C)cc5cc24)ccc13.Cc1cc2cc3sc4cc(-c5cc6sc7cc8cc(C)sc8cc7c6s5)sc4c3cc2s1.Cc1cc2sc3cc4cc(-c5cc6cc7sc8cc(C)sc8c7cc6s5)sc4cc3c2s1.Cc1cc2sc3cc4sc(-c5cc6cc7c(cc6s5)sc5cc(C)sc57)cc4cc3c2s1.Cc1ccc2c(ccc3c4ccc(-c5ccc6c(c5)sc5c7ccc(C)cc7ccc65)cc4sc23)c1.Cc1ccc2cc3c(cc2c1)sc1cc(-c2ccc4c(c2)sc2cc5cc(C)ccc5cc24)ccc13.c1ccc2c(c1)sc1cc3ccc(-c4ccc5cc6sc7ccccc7c6cc5c4)cc3cc12.c1ccc2cc3c(cc2c1)sc1cc2cc(-c4ccc5cc6c(cc5c4)sc4cc5ccccc5cc46)ccc2cc13.c1ccc2cc3c(cc2c1)sc1cc2ccc(-c4ccc5cc6sc7cc8ccccc8cc7c6cc5c4)cc2cc13.
What is the InChIKey of 2-methyl-7-(2-methyl-[1]benzothiolo[6,5-b][1]benzothiol-7-yl)-[1]benzothiolo[6,5-b][1]benzothiole;3-methyl-9-(3-methylnaphtho[1,2-b][1]benzothiol-9-yl)naphtho[1,2-b][1]benzothiole;8-methyl-3-(8-methylnaphtho[2,3-b][1]benzothiol-3-yl)naphtho[2,3-b][1]benzothiole;5-methyl-12-(5-methyl-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaen-12-yl)-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaene;5-methyl-12-(5-methyl-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaen-12-yl)-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaene;12-methyl-5-(12-methyl-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaen-5-yl)-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaene;12-methyl-5-(12-methyl-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaen-5-yl)-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaene;9-naphtho[2,3-b][1]benzothiol-9-ylnaphtho[2,3-b][1]benzothiole;6-(12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-6-yl)-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;7-(12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-yl)-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?
The InChIKey is HOLHJVITIORFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C40H22S2.2C34H22S2.C32H18S2.C30H18S4.4C26H14S6/c1-3-7-25-19-37-33(15-23(25)5-1)35-17-31-13-27(9-11-29(31)21-39(35)41-37)28-10-12-30-22-40-36(18-32(30)14-28)34-16-24-6-2-4-8-26(24)20-38(34)42-40;1-3-7-25-19-37-33(15-23(25)5-1)35-17-29-11-9-27(13-31(29)21-39(35)41-37)28-10-12-30-18-36-34-16-24-6-2-4-8-26(24)20-38(34)42-40(36)22-32(30)14-28;1-19-3-9-25-23(15-19)7-13-29-27-11-5-21(17-31(27)35-33(25)29)22-6-12-28-30-14-8-24-16-20(2)4-10-26(24)34(30)36-32(28)18-22;1-19-3-5-21-13-29-27-9-7-23(15-31(27)35-33(29)17-25(21)11-19)24-8-10-28-30-14-22-6-4-20(2)12-26(22)18-34(30)36-32(28)16-24;1-3-7-29-25(5-1)27-15-23-13-19(9-11-21(23)17-31(27)33-29)20-10-12-22-18-32-28(16-24(22)14-20)26-6-2-4-8-30(26)34-32;1-15-7-19-9-23-21-5-3-17(11-27(21)33-29(23)13-25(19)31-15)18-4-6-22-24-10-20-8-16(2)32-26(20)14-30(24)34-28(22)12-18;1-11-3-23-25(27-11)15-9-17-13(5-19(15)31-23)7-21(29-17)22-8-14-6-20-16(10-18(14)30-22)26-24(32-20)4-12(2)28-26;1-11-3-23-25(27-11)15-5-13-7-21(29-17(13)9-19(15)31-23)22-8-14-6-16-20(10-18(14)30-22)32-24-4-12(2)28-26(16)24;1-11-3-13-5-19-15(7-17(13)27-11)25-23(29-19)9-21(31-25)22-10-24-26(32-22)16-8-18-14(4-12(2)28-18)6-20(16)30-24;1-11-3-13-5-15-19(7-17(13)27-11)29-23-9-21(31-25(15)23)22-10-24-26(32-22)16-6-14-4-12(2)28-18(14)8-20(16)30-24/h2*1-22H;2*3-18H,1-2H3;1-18H;3-14H,1-2H3;4*3-10H,1-2H3.
What are the key properties of 2-methyl-7-(2-methyl-[1]benzothiolo[6,5-b][1]benzothiol-7-yl)-[1]benzothiolo[6,5-b][1]benzothiole;3-methyl-9-(3-methylnaphtho[1,2-b][1]benzothiol-9-yl)naphtho[1,2-b][1]benzothiole;8-methyl-3-(8-methylnaphtho[2,3-b][1]benzothiol-3-yl)naphtho[2,3-b][1]benzothiole;5-methyl-12-(5-methyl-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaen-12-yl)-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaene;5-methyl-12-(5-methyl-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaen-12-yl)-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaene;12-methyl-5-(12-methyl-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaen-5-yl)-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaene;12-methyl-5-(12-methyl-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaen-5-yl)-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaene;9-naphtho[2,3-b][1]benzothiol-9-ylnaphtho[2,3-b][1]benzothiole;6-(12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-6-yl)-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;7-(12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-yl)-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?
2-methyl-7-(2-methyl-[1]benzothiolo[6,5-b][1]benzothiol-7-yl)-[1]benzothiolo[6,5-b][1]benzothiole;3-methyl-9-(3-methylnaphtho[1,2-b][1]benzothiol-9-yl)naphtho[1,2-b][1]benzothiole;8-methyl-3-(8-methylnaphtho[2,3-b][1]benzothiol-3-yl)naphtho[2,3-b][1]benzothiole;5-methyl-12-(5-methyl-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaen-12-yl)-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaene;5-methyl-12-(5-methyl-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaen-12-yl)-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaene;12-methyl-5-(12-methyl-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaen-5-yl)-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaene;12-methyl-5-(12-methyl-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaen-5-yl)-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaene;9-naphtho[2,3-b][1]benzothiol-9-ylnaphtho[2,3-b][1]benzothiole;6-(12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-6-yl)-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;7-(12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-yl)-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene has a molecular weight of 5171.44 g/mol, XLogP of 114.00, 10 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(2-methyl-[1]benzothiolo[6,5-b][1]benzothiol-7-yl)-[1]benzothiolo[6,5-b][1]benzothiole;3-methyl-9-(3-methylnaphtho[1,2-b][1]benzothiol-9-yl)naphtho[1,2-b][1]benzothiole;8-methyl-3-(8-methylnaphtho[2,3-b][1]benzothiol-3-yl)naphtho[2,3-b][1]benzothiole;5-methyl-12-(5-methyl-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaen-12-yl)-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaene;5-methyl-12-(5-methyl-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaen-12-yl)-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaene;12-methyl-5-(12-methyl-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaen-5-yl)-4,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,5,7,10(14),12-hexaene;12-methyl-5-(12-methyl-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaen-5-yl)-6,11,15-trithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),2,4,7,10(14),12-hexaene;9-naphtho[2,3-b][1]benzothiol-9-ylnaphtho[2,3-b][1]benzothiole;6-(12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-6-yl)-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;7-(12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-yl)-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene is sourced from PubChem (CID 158540432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).