2-phenyl-7-(2-phenyl-[1]benzothiolo[5,6-b][1]benzothiol-7-yl)-[1]benzothiolo[5,6-b][1]benzothiole;2-phenyl-7-(2-phenyl-[1]benzothiolo[6,5-b][1]benzothiol-7-yl)-[1]benzothiolo[6,5-b][1]benzothiole;3-phenyl-8-(3-phenylnaphtho[3,2-b][1]benzothiol-8-yl)naphtho[2,3-b][1]benzothiole;3-phenyl-9-(3-phenylnaphtho[1,2-b][1]benzothiol-9-yl)naphtho[1,2-b][1]benzothiole;3-phenyl-9-(3-phenylnaphtho[2,3-b][1]benzothiol-9-yl)naphtho[2,3-b][1]benzothiole;8-phenyl-3-(8-phenylnaphtho[2,3-b][1]benzothiol-3-yl)naphtho[2,3-b][1]benzothiole;12-phenyl-5-(12-phenyl-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

C292H166S22 — CID 158816059

IUPAC2-phenyl-7-(2-phenyl-[1]benzothiolo[5,6-b][1]benzothiol-7-yl)-[1]benzothiolo[5,6-b][1]benzothiole;2-phenyl-7-(2-phenyl-[1]benzothiolo[6,5-b][1]benzothiol-7-yl)-[1]benzothiolo[6,5-b][1]benzothiole;3-phenyl-8-(3-phenylnaphtho[3,2-b][1]benzothiol-8-yl)naphtho[2,3-b][1]benzothiole;3-phenyl-9-(3-phenylnaphtho[1,2-b][1]benzothiol-9-yl)naphtho[1,2-b][1]benzothiole;3-phenyl-9-(3-phenylnaphtho[2,3-b][1]benzothiol-9-yl)naphtho[2,3-b][1]benzothiole;8-phenyl-3-(8-phenylnaphtho[2,3-b][1]benzothiol-3-yl)naphtho[2,3-b][1]benzothiole;12-phenyl-5-(12-phenyl-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
SMILESc1ccc(-c2cc3cc4c(cc3s2)sc2cc(-c3ccc5c(c3)sc3cc6sc(-c7ccccc7)cc6cc35)ccc24)cc1.c1ccc(-c2cc3cc4sc5cc(-c6ccc7c(c6)sc6cc8cc(-c9ccccc9)sc8cc67)ccc5c4cc3s2)cc1.c1ccc(-c2cc3sc4cc5cc(-c6cc7cc8sc9cc(-c%10ccccc%10)sc9c8cc7s6)sc5cc4c3s2)cc1.c1ccc(-c2ccc3c(c2)sc2cc4cc(-c5ccc6cc7c(cc6c5)sc5cc(-c6ccccc6)ccc57)ccc4cc23)cc1.c1ccc(-c2ccc3c(c2)sc2cc4ccc(-c5ccc6cc7sc8cc(-c9ccccc9)ccc8c7cc6c5)cc4cc23)cc1.c1ccc(-c2ccc3c(ccc4c5ccc(-c6ccc7c(c6)sc6c8ccc(-c9ccccc9)cc8ccc76)cc5sc34)c2)cc1.c1ccc(-c2ccc3cc4c(cc3c2)sc2cc(-c3ccc5c(c3)sc3cc6cc(-c7ccccc7)ccc6cc35)ccc24)cc1
InChIInChI=1S/4C44H26S2.2C40H22S4.C36H18S6/c1-3-7-27(8-4-1)29-11-17-35-33(23-29)15-21-39-37-19-13-31(25-41(37)45-43(35)39)32-14-20-38-40-22-16-34-24-30(28-9-5-2-6-10-28)12-18-36(34)44(40)46-42(38)26-32;1-3-7-27(8-4-1)31-15-17-37-39-21-35-19-29(11-13-33(35)25-43(39)45-41(37)23-31)30-12-14-34-26-44-40(22-36(34)20-30)38-18-16-32(24-42(38)46-44)28-9-5-2-6-10-28;1-3-7-27(8-4-1)33-15-17-37-39-21-31-13-11-29(19-35(31)25-43(39)45-41(37)23-33)30-12-14-32-22-40-38-18-16-34(28-9-5-2-6-10-28)24-42(38)46-44(40)26-36(32)20-30;1-3-7-27(8-4-1)29-11-13-31-21-39-37-17-15-33(23-41(37)45-43(39)25-35(31)19-29)34-16-18-38-40-22-32-14-12-30(28-9-5-2-6-10-28)20-36(32)26-44(40)46-42(38)24-34;1-3-7-23(8-4-1)33-19-27-15-31-29-13-11-25(17-37(29)43-39(31)21-35(27)41-33)26-12-14-30-32-16-28-20-34(24-9-5-2-6-10-24)42-36(28)22-40(32)44-38(30)18-26;1-3-7-23(8-4-1)33-17-27-19-39-31(21-35(27)41-33)29-13-11-25(15-37(29)43-39)26-12-14-30-32-22-36-28(20-40(32)44-38(30)16-26)18-34(42-36)24-9-5-2-6-10-24;1-3-7-19(8-4-1)27-17-33-35(41-27)23-15-25-21(11-29(23)39-33)13-31(37-25)32-14-22-12-30-24(16-26(22)38-32)36-34(40-30)18-28(42-36)20-9-5-2-6-10-20/h4*1-26H;2*1-22H;1-18H
InChIKeyIVGXMKCAEGSGFM-UHFFFAOYSA-N
MW4380.01 g/mol
LogP96.60
Rot. Bonds21

About 2-phenyl-7-(2-phenyl-[1]benzothiolo[5,6-b][1]benzothiol-7-yl)-[1]benzothiolo[5,6-b][1]benzothiole;2-phenyl-7-(2-phenyl-[1]benzothiolo[6,5-b][1]benzothiol-7-yl)-[1]benzothiolo[6,5-b][1]benzothiole;3-phenyl-8-(3-phenylnaphtho[3,2-b][1]benzothiol-8-yl)naphtho[2,3-b][1]benzothiole;3-phenyl-9-(3-phenylnaphtho[1,2-b][1]benzothiol-9-yl)naphtho[1,2-b][1]benzothiole;3-phenyl-9-(3-phenylnaphtho[2,3-b][1]benzothiol-9-yl)naphtho[2,3-b][1]benzothiole;8-phenyl-3-(8-phenylnaphtho[2,3-b][1]benzothiol-3-yl)naphtho[2,3-b][1]benzothiole;12-phenyl-5-(12-phenyl-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

2-phenyl-7-(2-phenyl-[1]benzothiolo[5,6-b][1]benzothiol-7-yl)-[1]benzothiolo[5,6-b][1]benzothiole;2-phenyl-7-(2-phenyl-[1]benzothiolo[6,5-b][1]benzothiol-7-yl)-[1]benzothiolo[6,5-b][1]benzothiole;3-phenyl-8-(3-phenylnaphtho[3,2-b][1]benzothiol-8-yl)naphtho[2,3-b][1]benzothiole;3-phenyl-9-(3-phenylnaphtho[1,2-b][1]benzothiol-9-yl)naphtho[1,2-b][1]benzothiole;3-phenyl-9-(3-phenylnaphtho[2,3-b][1]benzothiol-9-yl)naphtho[2,3-b][1]benzothiole;8-phenyl-3-(8-phenylnaphtho[2,3-b][1]benzothiol-3-yl)naphtho[2,3-b][1]benzothiole;12-phenyl-5-(12-phenyl-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 (PubChem CID 158816059) has the molecular formula C292H166S22 and a molecular weight of 4380.01 g/mol. Its IUPAC name is 2-phenyl-7-(2-phenyl-[1]benzothiolo[5,6-b][1]benzothiol-7-yl)-[1]benzothiolo[5,6-b][1]benzothiole;2-phenyl-7-(2-phenyl-[1]benzothiolo[6,5-b][1]benzothiol-7-yl)-[1]benzothiolo[6,5-b][1]benzothiole;3-phenyl-8-(3-phenylnaphtho[3,2-b][1]benzothiol-8-yl)naphtho[2,3-b][1]benzothiole;3-phenyl-9-(3-phenylnaphtho[1,2-b][1]benzothiol-9-yl)naphtho[1,2-b][1]benzothiole;3-phenyl-9-(3-phenylnaphtho[2,3-b][1]benzothiol-9-yl)naphtho[2,3-b][1]benzothiole;8-phenyl-3-(8-phenylnaphtho[2,3-b][1]benzothiol-3-yl)naphtho[2,3-b][1]benzothiole;12-phenyl-5-(12-phenyl-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.

Molecular Properties

Compound Name2-phenyl-7-(2-phenyl-[1]benzothiolo[5,6-b][1]benzothiol-7-yl)-[1]benzothiolo[5,6-b][1]benzothiole;2-phenyl-7-(2-phenyl-[1]benzothiolo[6,5-b][1]benzothiol-7-yl)-[1]benzothiolo[6,5-b][1]benzothiole;3-phenyl-8-(3-phenylnaphtho[3,2-b][1]benzothiol-8-yl)naphtho[2,3-b][1]benzothiole;3-phenyl-9-(3-phenylnaphtho[1,2-b][1]benzothiol-9-yl)naphtho[1,2-b][1]benzothiole;3-phenyl-9-(3-phenylnaphtho[2,3-b][1]benzothiol-9-yl)naphtho[2,3-b][1]benzothiole;8-phenyl-3-(8-phenylnaphtho[2,3-b][1]benzothiol-3-yl)naphtho[2,3-b][1]benzothiole;12-phenyl-5-(12-phenyl-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
PubChem CID158816059
Molecular FormulaC292H166S22
Molecular Weight4380.01 g/mol
Exact Mass4374.68
IUPAC Name2-phenyl-7-(2-phenyl-[1]benzothiolo[5,6-b][1]benzothiol-7-yl)-[1]benzothiolo[5,6-b][1]benzothiole;2-phenyl-7-(2-phenyl-[1]benzothiolo[6,5-b][1]benzothiol-7-yl)-[1]benzothiolo[6,5-b][1]benzothiole;3-phenyl-8-(3-phenylnaphtho[3,2-b][1]benzothiol-8-yl)naphtho[2,3-b][1]benzothiole;3-phenyl-9-(3-phenylnaphtho[1,2-b][1]benzothiol-9-yl)naphtho[1,2-b][1]benzothiole;3-phenyl-9-(3-phenylnaphtho[2,3-b][1]benzothiol-9-yl)naphtho[2,3-b][1]benzothiole;8-phenyl-3-(8-phenylnaphtho[2,3-b][1]benzothiol-3-yl)naphtho[2,3-b][1]benzothiole;12-phenyl-5-(12-phenyl-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
SMILESc1ccc(-c2cc3cc4c(cc3s2)sc2cc(-c3ccc5c(c3)sc3cc6sc(-c7ccccc7)cc6cc35)ccc24)cc1.c1ccc(-c2cc3cc4sc5cc(-c6ccc7c(c6)sc6cc8cc(-c9ccccc9)sc8cc67)ccc5c4cc3s2)cc1.c1ccc(-c2cc3sc4cc5cc(-c6cc7cc8sc9cc(-c%10ccccc%10)sc9c8cc7s6)sc5cc4c3s2)cc1.c1ccc(-c2ccc3c(c2)sc2cc4cc(-c5ccc6cc7c(cc6c5)sc5cc(-c6ccccc6)ccc57)ccc4cc23)cc1.c1ccc(-c2ccc3c(c2)sc2cc4ccc(-c5ccc6cc7sc8cc(-c9ccccc9)ccc8c7cc6c5)cc4cc23)cc1.c1ccc(-c2ccc3c(ccc4c5ccc(-c6ccc7c(c6)sc6c8ccc(-c9ccccc9)cc8ccc76)cc5sc34)c2)cc1.c1ccc(-c2ccc3cc4c(cc3c2)sc2cc(-c3ccc5c(c3)sc3cc6cc(-c7ccccc7)ccc6cc35)ccc24)cc1
InChIInChI=1S/4C44H26S2.2C40H22S4.C36H18S6/c1-3-7-27(8-4-1)29-11-17-35-33(23-29)15-21-39-37-19-13-31(25-41(37)45-43(35)39)32-14-20-38-40-22-16-34-24-30(28-9-5-2-6-10-28)12-18-36(34)44(40)46-42(38)26-32;1-3-7-27(8-4-1)31-15-17-37-39-21-35-19-29(11-13-33(35)25-43(39)45-41(37)23-31)30-12-14-34-26-44-40(22-36(34)20-30)38-18-16-32(24-42(38)46-44)28-9-5-2-6-10-28;1-3-7-27(8-4-1)33-15-17-37-39-21-31-13-11-29(19-35(31)25-43(39)45-41(37)23-33)30-12-14-32-22-40-38-18-16-34(28-9-5-2-6-10-28)24-42(38)46-44(40)26-36(32)20-30;1-3-7-27(8-4-1)29-11-13-31-21-39-37-17-15-33(23-41(37)45-43(39)25-35(31)19-29)34-16-18-38-40-22-32-14-12-30(28-9-5-2-6-10-28)20-36(32)26-44(40)46-42(38)24-34;1-3-7-23(8-4-1)33-19-27-15-31-29-13-11-25(17-37(29)43-39(31)21-35(27)41-33)26-12-14-30-32-16-28-20-34(24-9-5-2-6-10-24)42-36(28)22-40(32)44-38(30)18-26;1-3-7-23(8-4-1)33-17-27-19-39-31(21-35(27)41-33)29-13-11-25(15-37(29)43-39)26-12-14-30-32-22-36-28(20-40(32)44-38(30)16-26)18-34(42-36)24-9-5-2-6-10-24;1-3-7-19(8-4-1)27-17-33-35(41-27)23-15-25-21(11-29(23)39-33)13-31(37-25)32-14-22-12-30-24(16-26(22)38-32)36-34(40-30)18-28(42-36)20-9-5-2-6-10-20/h4*1-26H;2*1-22H;1-18H
InChIKeyIVGXMKCAEGSGFM-UHFFFAOYSA-N
XLogP96.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds21
Heavy Atoms314
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004380.01
LogP ≤ 596.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 2-phenyl-7-(2-phenyl-[1]benzothiolo[5,6-b][1]benzothiol-7-yl)-[1]benzothiolo[5,6-b][1]benzothiole;2-phenyl-7-(2-phenyl-[1]benzothiolo[6,5-b][1]benzothiol-7-yl)-[1]benzothiolo[6,5-b][1]benzothiole;3-phenyl-8-(3-phenylnaphtho[3,2-b][1]benzothiol-8-yl)naphtho[2,3-b][1]benzothiole;3-phenyl-9-(3-phenylnaphtho[1,2-b][1]benzothiol-9-yl)naphtho[1,2-b][1]benzothiole;3-phenyl-9-(3-phenylnaphtho[2,3-b][1]benzothiol-9-yl)naphtho[2,3-b][1]benzothiole;8-phenyl-3-(8-phenylnaphtho[2,3-b][1]benzothiol-3-yl)naphtho[2,3-b][1]benzothiole;12-phenyl-5-(12-phenyl-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-7-(2-phenyl-[1]benzothiolo[5,6-b][1]benzothiol-7-yl)-[1]benzothiolo[5,6-b][1]benzothiole;2-phenyl-7-(2-phenyl-[1]benzothiolo[6,5-b][1]benzothiol-7-yl)-[1]benzothiolo[6,5-b][1]benzothiole;3-phenyl-8-(3-phenylnaphtho[3,2-b][1]benzothiol-8-yl)naphtho[2,3-b][1]benzothiole;3-phenyl-9-(3-phenylnaphtho[1,2-b][1]benzothiol-9-yl)naphtho[1,2-b][1]benzothiole;3-phenyl-9-(3-phenylnaphtho[2,3-b][1]benzothiol-9-yl)naphtho[2,3-b][1]benzothiole;8-phenyl-3-(8-phenylnaphtho[2,3-b][1]benzothiol-3-yl)naphtho[2,3-b][1]benzothiole;12-phenyl-5-(12-phenyl-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?
The IUPAC name of 2-phenyl-7-(2-phenyl-[1]benzothiolo[5,6-b][1]benzothiol-7-yl)-[1]benzothiolo[5,6-b][1]benzothiole;2-phenyl-7-(2-phenyl-[1]benzothiolo[6,5-b][1]benzothiol-7-yl)-[1]benzothiolo[6,5-b][1]benzothiole;3-phenyl-8-(3-phenylnaphtho[3,2-b][1]benzothiol-8-yl)naphtho[2,3-b][1]benzothiole;3-phenyl-9-(3-phenylnaphtho[1,2-b][1]benzothiol-9-yl)naphtho[1,2-b][1]benzothiole;3-phenyl-9-(3-phenylnaphtho[2,3-b][1]benzothiol-9-yl)naphtho[2,3-b][1]benzothiole;8-phenyl-3-(8-phenylnaphtho[2,3-b][1]benzothiol-3-yl)naphtho[2,3-b][1]benzothiole;12-phenyl-5-(12-phenyl-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 (CID 158816059) is 2-phenyl-7-(2-phenyl-[1]benzothiolo[5,6-b][1]benzothiol-7-yl)-[1]benzothiolo[5,6-b][1]benzothiole;2-phenyl-7-(2-phenyl-[1]benzothiolo[6,5-b][1]benzothiol-7-yl)-[1]benzothiolo[6,5-b][1]benzothiole;3-phenyl-8-(3-phenylnaphtho[3,2-b][1]benzothiol-8-yl)naphtho[2,3-b][1]benzothiole;3-phenyl-9-(3-phenylnaphtho[1,2-b][1]benzothiol-9-yl)naphtho[1,2-b][1]benzothiole;3-phenyl-9-(3-phenylnaphtho[2,3-b][1]benzothiol-9-yl)naphtho[2,3-b][1]benzothiole;8-phenyl-3-(8-phenylnaphtho[2,3-b][1]benzothiol-3-yl)naphtho[2,3-b][1]benzothiole;12-phenyl-5-(12-phenyl-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.
What is the SMILES notation for 2-phenyl-7-(2-phenyl-[1]benzothiolo[5,6-b][1]benzothiol-7-yl)-[1]benzothiolo[5,6-b][1]benzothiole;2-phenyl-7-(2-phenyl-[1]benzothiolo[6,5-b][1]benzothiol-7-yl)-[1]benzothiolo[6,5-b][1]benzothiole;3-phenyl-8-(3-phenylnaphtho[3,2-b][1]benzothiol-8-yl)naphtho[2,3-b][1]benzothiole;3-phenyl-9-(3-phenylnaphtho[1,2-b][1]benzothiol-9-yl)naphtho[1,2-b][1]benzothiole;3-phenyl-9-(3-phenylnaphtho[2,3-b][1]benzothiol-9-yl)naphtho[2,3-b][1]benzothiole;8-phenyl-3-(8-phenylnaphtho[2,3-b][1]benzothiol-3-yl)naphtho[2,3-b][1]benzothiole;12-phenyl-5-(12-phenyl-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?
The canonical SMILES for 2-phenyl-7-(2-phenyl-[1]benzothiolo[5,6-b][1]benzothiol-7-yl)-[1]benzothiolo[5,6-b][1]benzothiole;2-phenyl-7-(2-phenyl-[1]benzothiolo[6,5-b][1]benzothiol-7-yl)-[1]benzothiolo[6,5-b][1]benzothiole;3-phenyl-8-(3-phenylnaphtho[3,2-b][1]benzothiol-8-yl)naphtho[2,3-b][1]benzothiole;3-phenyl-9-(3-phenylnaphtho[1,2-b][1]benzothiol-9-yl)naphtho[1,2-b][1]benzothiole;3-phenyl-9-(3-phenylnaphtho[2,3-b][1]benzothiol-9-yl)naphtho[2,3-b][1]benzothiole;8-phenyl-3-(8-phenylnaphtho[2,3-b][1]benzothiol-3-yl)naphtho[2,3-b][1]benzothiole;12-phenyl-5-(12-phenyl-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 is c1ccc(-c2cc3cc4c(cc3s2)sc2cc(-c3ccc5c(c3)sc3cc6sc(-c7ccccc7)cc6cc35)ccc24)cc1.c1ccc(-c2cc3cc4sc5cc(-c6ccc7c(c6)sc6cc8cc(-c9ccccc9)sc8cc67)ccc5c4cc3s2)cc1.c1ccc(-c2cc3sc4cc5cc(-c6cc7cc8sc9cc(-c%10ccccc%10)sc9c8cc7s6)sc5cc4c3s2)cc1.c1ccc(-c2ccc3c(c2)sc2cc4cc(-c5ccc6cc7c(cc6c5)sc5cc(-c6ccccc6)ccc57)ccc4cc23)cc1.c1ccc(-c2ccc3c(c2)sc2cc4ccc(-c5ccc6cc7sc8cc(-c9ccccc9)ccc8c7cc6c5)cc4cc23)cc1.c1ccc(-c2ccc3c(ccc4c5ccc(-c6ccc7c(c6)sc6c8ccc(-c9ccccc9)cc8ccc76)cc5sc34)c2)cc1.c1ccc(-c2ccc3cc4c(cc3c2)sc2cc(-c3ccc5c(c3)sc3cc6cc(-c7ccccc7)ccc6cc35)ccc24)cc1.
What is the InChIKey of 2-phenyl-7-(2-phenyl-[1]benzothiolo[5,6-b][1]benzothiol-7-yl)-[1]benzothiolo[5,6-b][1]benzothiole;2-phenyl-7-(2-phenyl-[1]benzothiolo[6,5-b][1]benzothiol-7-yl)-[1]benzothiolo[6,5-b][1]benzothiole;3-phenyl-8-(3-phenylnaphtho[3,2-b][1]benzothiol-8-yl)naphtho[2,3-b][1]benzothiole;3-phenyl-9-(3-phenylnaphtho[1,2-b][1]benzothiol-9-yl)naphtho[1,2-b][1]benzothiole;3-phenyl-9-(3-phenylnaphtho[2,3-b][1]benzothiol-9-yl)naphtho[2,3-b][1]benzothiole;8-phenyl-3-(8-phenylnaphtho[2,3-b][1]benzothiol-3-yl)naphtho[2,3-b][1]benzothiole;12-phenyl-5-(12-phenyl-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?
The InChIKey is IVGXMKCAEGSGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C44H26S2.2C40H22S4.C36H18S6/c1-3-7-27(8-4-1)29-11-17-35-33(23-29)15-21-39-37-19-13-31(25-41(37)45-43(35)39)32-14-20-38-40-22-16-34-24-30(28-9-5-2-6-10-28)12-18-36(34)44(40)46-42(38)26-32;1-3-7-27(8-4-1)31-15-17-37-39-21-35-19-29(11-13-33(35)25-43(39)45-41(37)23-31)30-12-14-34-26-44-40(22-36(34)20-30)38-18-16-32(24-42(38)46-44)28-9-5-2-6-10-28;1-3-7-27(8-4-1)33-15-17-37-39-21-31-13-11-29(19-35(31)25-43(39)45-41(37)23-33)30-12-14-32-22-40-38-18-16-34(28-9-5-2-6-10-28)24-42(38)46-44(40)26-36(32)20-30;1-3-7-27(8-4-1)29-11-13-31-21-39-37-17-15-33(23-41(37)45-43(39)25-35(31)19-29)34-16-18-38-40-22-32-14-12-30(28-9-5-2-6-10-28)20-36(32)26-44(40)46-42(38)24-34;1-3-7-23(8-4-1)33-19-27-15-31-29-13-11-25(17-37(29)43-39(31)21-35(27)41-33)26-12-14-30-32-16-28-20-34(24-9-5-2-6-10-24)42-36(28)22-40(32)44-38(30)18-26;1-3-7-23(8-4-1)33-17-27-19-39-31(21-35(27)41-33)29-13-11-25(15-37(29)43-39)26-12-14-30-32-22-36-28(20-40(32)44-38(30)16-26)18-34(42-36)24-9-5-2-6-10-24;1-3-7-19(8-4-1)27-17-33-35(41-27)23-15-25-21(11-29(23)39-33)13-31(37-25)32-14-22-12-30-24(16-26(22)38-32)36-34(40-30)18-28(42-36)20-9-5-2-6-10-20/h4*1-26H;2*1-22H;1-18H.
What are the key properties of 2-phenyl-7-(2-phenyl-[1]benzothiolo[5,6-b][1]benzothiol-7-yl)-[1]benzothiolo[5,6-b][1]benzothiole;2-phenyl-7-(2-phenyl-[1]benzothiolo[6,5-b][1]benzothiol-7-yl)-[1]benzothiolo[6,5-b][1]benzothiole;3-phenyl-8-(3-phenylnaphtho[3,2-b][1]benzothiol-8-yl)naphtho[2,3-b][1]benzothiole;3-phenyl-9-(3-phenylnaphtho[1,2-b][1]benzothiol-9-yl)naphtho[1,2-b][1]benzothiole;3-phenyl-9-(3-phenylnaphtho[2,3-b][1]benzothiol-9-yl)naphtho[2,3-b][1]benzothiole;8-phenyl-3-(8-phenylnaphtho[2,3-b][1]benzothiol-3-yl)naphtho[2,3-b][1]benzothiole;12-phenyl-5-(12-phenyl-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?
2-phenyl-7-(2-phenyl-[1]benzothiolo[5,6-b][1]benzothiol-7-yl)-[1]benzothiolo[5,6-b][1]benzothiole;2-phenyl-7-(2-phenyl-[1]benzothiolo[6,5-b][1]benzothiol-7-yl)-[1]benzothiolo[6,5-b][1]benzothiole;3-phenyl-8-(3-phenylnaphtho[3,2-b][1]benzothiol-8-yl)naphtho[2,3-b][1]benzothiole;3-phenyl-9-(3-phenylnaphtho[1,2-b][1]benzothiol-9-yl)naphtho[1,2-b][1]benzothiole;3-phenyl-9-(3-phenylnaphtho[2,3-b][1]benzothiol-9-yl)naphtho[2,3-b][1]benzothiole;8-phenyl-3-(8-phenylnaphtho[2,3-b][1]benzothiol-3-yl)naphtho[2,3-b][1]benzothiole;12-phenyl-5-(12-phenyl-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 has a molecular weight of 4380.01 g/mol, XLogP of 96.60, 21 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-7-(2-phenyl-[1]benzothiolo[5,6-b][1]benzothiol-7-yl)-[1]benzothiolo[5,6-b][1]benzothiole;2-phenyl-7-(2-phenyl-[1]benzothiolo[6,5-b][1]benzothiol-7-yl)-[1]benzothiolo[6,5-b][1]benzothiole;3-phenyl-8-(3-phenylnaphtho[3,2-b][1]benzothiol-8-yl)naphtho[2,3-b][1]benzothiole;3-phenyl-9-(3-phenylnaphtho[1,2-b][1]benzothiol-9-yl)naphtho[1,2-b][1]benzothiole;3-phenyl-9-(3-phenylnaphtho[2,3-b][1]benzothiol-9-yl)naphtho[2,3-b][1]benzothiole;8-phenyl-3-(8-phenylnaphtho[2,3-b][1]benzothiol-3-yl)naphtho[2,3-b][1]benzothiole;12-phenyl-5-(12-phenyl-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 is sourced from PubChem (CID 158816059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).