2-[2-[2-[5-[5-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-3-[2-(decylsulfamoyl)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-5-methylthiophen-3-yl]-N-decylethanesulfonamide;2-[2-[2-[5-[5-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-[2-(decylsulfamoyl)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-5-methylthiophen-3-yl]-N-decylethanesulfonamide;2-[2-[5-[5-[10-[5-[2-[5-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-tetradecylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-tetradecylthiophen-2-yl]-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-[2-(octylsulfamoyl)ethyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylthiophen-3-yl]-N-octylethanesulfonamide

C252H380N14O14S30Si3 — CID 162155673

IUPAC2-[2-[2-[5-[5-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-3-[2-(decylsulfamoyl)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-5-methylthiophen-3-yl]-N-decylethanesulfonamide;2-[2-[2-[5-[5-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-[2-(decylsulfamoyl)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-5-methylthiophen-3-yl]-N-decylethanesulfonamide;2-[2-[5-[5-[10-[5-[2-[5-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-tetradecylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-tetradecylthiophen-2-yl]-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-[2-(octylsulfamoyl)ethyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylthiophen-3-yl]-N-octylethanesulfonamide
SMILESCCCCCCCCCCCCCCc1cc(-c2cc3c(s2)-c2sc(C)cc2[Si]3(CC(CC)CCCC)CC(CC)CCCC)sc1-c1nc2sc(-c3sc(-c4cc5c(s4)-c4sc(-c6cc(CCS(=O)(=O)NCCCCCCCC)c(-c7nc8sc(-c9sc(C)cc9CCS(=O)(=O)NCCCCCCCC)nc8s7)s6)cc4[Si]5(CC(CC)CCCC)CC(CC)CCCC)cc3CCCCCCCCCCCCCC)nc2s1.CCCCCCCCCCNS(=O)(=O)CCc1cc(C)sc1-c1cnc(-c2ncc(-c3sc(-c4cc5c(OCC(CC)CCCC)c6sc(C)cc6c(OCC(CC)CCCC)c5s4)cc3CCS(=O)(=O)NCCCCCCCCCC)s2)s1.CCCCCCCCCCNS(=O)(=O)CCc1cc(C)sc1-c1cnc(-c2ncc(-c3sc(-c4cc5c(s4)-c4sc(C)cc4[Si]5(CC(CC)CCCC)CC(CC)CCCC)cc3CCS(=O)(=O)NCCCCCCCCCC)s2)s1
InChIInChI=1S/C122H184N6O4S14Si2.C66H98N4O6S8.C64H98N4O4S8Si/c1-15-27-35-39-43-45-47-49-51-53-55-59-67-93-77-97(100-80-104-112(138-100)111-103(76-88(14)134-111)147(104,83-89(23-9)63-31-19-5)84-90(24-10)64-32-20-6)135-108(93)116-126-121-122(142-116)127-117(143-121)109-94(68-60-56-54-52-50-48-46-44-40-36-28-16-2)78-98(136-109)101-81-105-113(139-101)114-106(148(105,85-91(25-11)65-33-21-7)86-92(26-12)66-34-22-8)82-102(140-114)99-79-96(70-74-146(131,132)124-72-62-58-42-38-30-18-4)110(137-99)118-128-120-119(144-118)125-115(141-120)107-95(75-87(13)133-107)69-73-145(129,130)123-71-61-57-41-37-29-17-3;1-9-15-19-21-23-25-27-29-35-69-83(71,72)37-33-51-39-47(7)77-61(51)57-43-67-65(81-57)66-68-44-58(82-66)62-52(34-38-84(73,74)70-36-30-28-26-24-22-20-16-10-2)41-55(79-62)56-42-54-60(76-46-50(14-6)32-18-12-4)63-53(40-48(8)78-63)59(64(54)80-56)75-45-49(13-5)31-17-11-3;1-9-15-19-21-23-25-27-29-35-67-79(69,70)37-33-51-39-47(7)73-59(51)55-43-65-63(77-55)64-66-44-56(78-64)60-52(34-38-80(71,72)68-36-30-28-26-24-22-20-16-10-2)41-53(75-60)54-42-58-62(76-54)61-57(40-48(8)74-61)81(58,45-49(13-5)31-17-11-3)46-50(14-6)32-18-12-4/h75-82,89-92,123-124H,15-74,83-86H2,1-14H3;39-44,49-50,69-70H,9-38,45-46H2,1-8H3;39-44,49-50,67-68H,9-38,45-46H2,1-8H3
InChIKeyZLUFRSAGEIHPKE-UHFFFAOYSA-N
MW4876.16 g/mol
LogP80.83
Rot. Bonds165

About 2-[2-[2-[5-[5-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-3-[2-(decylsulfamoyl)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-5-methylthiophen-3-yl]-N-decylethanesulfonamide;2-[2-[2-[5-[5-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-[2-(decylsulfamoyl)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-5-methylthiophen-3-yl]-N-decylethanesulfonamide;2-[2-[5-[5-[10-[5-[2-[5-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-tetradecylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-tetradecylthiophen-2-yl]-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-[2-(octylsulfamoyl)ethyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylthiophen-3-yl]-N-octylethanesulfonamide

2-[2-[2-[5-[5-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-3-[2-(decylsulfamoyl)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-5-methylthiophen-3-yl]-N-decylethanesulfonamide;2-[2-[2-[5-[5-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-[2-(decylsulfamoyl)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-5-methylthiophen-3-yl]-N-decylethanesulfonamide;2-[2-[5-[5-[10-[5-[2-[5-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-tetradecylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-tetradecylthiophen-2-yl]-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-[2-(octylsulfamoyl)ethyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylthiophen-3-yl]-N-octylethanesulfonamide (PubChem CID 162155673) has the molecular formula C252H380N14O14S30Si3 and a molecular weight of 4876.16 g/mol. Its IUPAC name is 2-[2-[2-[5-[5-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-3-[2-(decylsulfamoyl)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-5-methylthiophen-3-yl]-N-decylethanesulfonamide;2-[2-[2-[5-[5-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-[2-(decylsulfamoyl)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-5-methylthiophen-3-yl]-N-decylethanesulfonamide;2-[2-[5-[5-[10-[5-[2-[5-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-tetradecylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-tetradecylthiophen-2-yl]-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-[2-(octylsulfamoyl)ethyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylthiophen-3-yl]-N-octylethanesulfonamide.

Molecular Properties

Compound Name2-[2-[2-[5-[5-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-3-[2-(decylsulfamoyl)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-5-methylthiophen-3-yl]-N-decylethanesulfonamide;2-[2-[2-[5-[5-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-[2-(decylsulfamoyl)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-5-methylthiophen-3-yl]-N-decylethanesulfonamide;2-[2-[5-[5-[10-[5-[2-[5-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-tetradecylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-tetradecylthiophen-2-yl]-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-[2-(octylsulfamoyl)ethyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylthiophen-3-yl]-N-octylethanesulfonamide
PubChem CID162155673
Molecular FormulaC252H380N14O14S30Si3
Molecular Weight4876.16 g/mol
Exact Mass4870.04
IUPAC Name2-[2-[2-[5-[5-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-3-[2-(decylsulfamoyl)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-5-methylthiophen-3-yl]-N-decylethanesulfonamide;2-[2-[2-[5-[5-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-[2-(decylsulfamoyl)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-5-methylthiophen-3-yl]-N-decylethanesulfonamide;2-[2-[5-[5-[10-[5-[2-[5-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-tetradecylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-tetradecylthiophen-2-yl]-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-[2-(octylsulfamoyl)ethyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylthiophen-3-yl]-N-octylethanesulfonamide
SMILESCCCCCCCCCCCCCCc1cc(-c2cc3c(s2)-c2sc(C)cc2[Si]3(CC(CC)CCCC)CC(CC)CCCC)sc1-c1nc2sc(-c3sc(-c4cc5c(s4)-c4sc(-c6cc(CCS(=O)(=O)NCCCCCCCC)c(-c7nc8sc(-c9sc(C)cc9CCS(=O)(=O)NCCCCCCCC)nc8s7)s6)cc4[Si]5(CC(CC)CCCC)CC(CC)CCCC)cc3CCCCCCCCCCCCCC)nc2s1.CCCCCCCCCCNS(=O)(=O)CCc1cc(C)sc1-c1cnc(-c2ncc(-c3sc(-c4cc5c(OCC(CC)CCCC)c6sc(C)cc6c(OCC(CC)CCCC)c5s4)cc3CCS(=O)(=O)NCCCCCCCCCC)s2)s1.CCCCCCCCCCNS(=O)(=O)CCc1cc(C)sc1-c1cnc(-c2ncc(-c3sc(-c4cc5c(s4)-c4sc(C)cc4[Si]5(CC(CC)CCCC)CC(CC)CCCC)cc3CCS(=O)(=O)NCCCCCCCCCC)s2)s1
InChIInChI=1S/C122H184N6O4S14Si2.C66H98N4O6S8.C64H98N4O4S8Si/c1-15-27-35-39-43-45-47-49-51-53-55-59-67-93-77-97(100-80-104-112(138-100)111-103(76-88(14)134-111)147(104,83-89(23-9)63-31-19-5)84-90(24-10)64-32-20-6)135-108(93)116-126-121-122(142-116)127-117(143-121)109-94(68-60-56-54-52-50-48-46-44-40-36-28-16-2)78-98(136-109)101-81-105-113(139-101)114-106(148(105,85-91(25-11)65-33-21-7)86-92(26-12)66-34-22-8)82-102(140-114)99-79-96(70-74-146(131,132)124-72-62-58-42-38-30-18-4)110(137-99)118-128-120-119(144-118)125-115(141-120)107-95(75-87(13)133-107)69-73-145(129,130)123-71-61-57-41-37-29-17-3;1-9-15-19-21-23-25-27-29-35-69-83(71,72)37-33-51-39-47(7)77-61(51)57-43-67-65(81-57)66-68-44-58(82-66)62-52(34-38-84(73,74)70-36-30-28-26-24-22-20-16-10-2)41-55(79-62)56-42-54-60(76-46-50(14-6)32-18-12-4)63-53(40-48(8)78-63)59(64(54)80-56)75-45-49(13-5)31-17-11-3;1-9-15-19-21-23-25-27-29-35-67-79(69,70)37-33-51-39-47(7)73-59(51)55-43-65-63(77-55)64-66-44-56(78-64)60-52(34-38-80(71,72)68-36-30-28-26-24-22-20-16-10-2)41-53(75-60)54-42-58-62(76-54)61-57(40-48(8)74-61)81(58,45-49(13-5)31-17-11-3)46-50(14-6)32-18-12-4/h75-82,89-92,123-124H,15-74,83-86H2,1-14H3;39-44,49-50,69-70H,9-38,45-46H2,1-8H3;39-44,49-50,67-68H,9-38,45-46H2,1-8H3
InChIKeyZLUFRSAGEIHPKE-UHFFFAOYSA-N
XLogP80.83
TPSA398.60 Ų
H-Bond Donors6
H-Bond Acceptors46
Rotatable Bonds165
Heavy Atoms313
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004876.16
LogP ≤ 580.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1046

Analyze 2-[2-[2-[5-[5-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-3-[2-(decylsulfamoyl)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-5-methylthiophen-3-yl]-N-decylethanesulfonamide;2-[2-[2-[5-[5-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-[2-(decylsulfamoyl)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-5-methylthiophen-3-yl]-N-decylethanesulfonamide;2-[2-[5-[5-[10-[5-[2-[5-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-tetradecylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-tetradecylthiophen-2-yl]-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-[2-(octylsulfamoyl)ethyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylthiophen-3-yl]-N-octylethanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

5-[5-[10-[4-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-2,3,5,6-tetrafluorophenyl]-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-chloro-3-tetradecylthiophen-2-yl]-2-(4-chloro-5-methyl-3-tetradecylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole;4-[10-[4-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-2,3,5,6-tetrafluorophenyl]-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-methyl-2,1,3-benzothiadiazole;5-[5-[10-[4-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-2,3,5,6-tetrafluorophenyl]-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-tetradecylthiophen-2-yl]-2-(5-methyl-3-tetradecylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole;didodecyl 6-methyl-2-(2,3,5,6-tetrafluoro-4-methylphenyl)thieno[2,3-f][1]benzothiole-4,8-dicarboxylate
CID 158969552
5-[5-[4-hexyl-5-[2-(3-hexyl-5-methylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]thiophen-2-yl]-3-(2-octyldodecyl)thiophen-2-yl]-2-[5-methyl-3-(2-octyldodecyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 121274368
3-[10-[1-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-octyl-4,6-dioxothieno[3,4-c]pyrrol-3-yl]-7,7-dioctyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-1-methyl-5-octylthieno[3,4-c]pyrrole-4,6-dione
CID 90361954
4-[5-[4,8-bis(2-hexyldecoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-[5-[2-[3-dodecyl-5-[7-(4-dodecyl-5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-4,8-bis(2-hexyldecoxy)thieno[2,3-f][1]benzothiol-6-yl]thiophen-2-yl]-2,1,3-benzothiadiazole
CID 170253329
4-[5-[6-[5-[7-[5-[4,8-bis(2-hexyldecoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazol-4-yl]-3-dodecylthiophen-2-yl]-4,8-bis(2-hexyldecoxy)thieno[2,3-f][1]benzothiol-2-yl]-4-dodecylthiophen-2-yl]-7-(4-dodecyl-5-methylthiophen-2-yl)-5,6-difluoro-2,1,3-benzothiadiazole
CID 170253529
4-[3-dodecyl-5-(4-dodecyl-5-methylthiophen-2-yl)thiophen-2-yl]-8-(2-ethylhexyl)-12-methyl-3,13-dithia-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-7,9-dione
CID 118566243
[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-trimethylstannane
CID 58568477
2-[4,8-bis(2-ethylhexoxy)-2-(4-octyl-1,3-selenazol-2-yl)thieno[2,3-f][1]benzothiol-6-yl]-4-octyl-1,3-selenazole
CID 140608746
5-dodecyl-3-[7-(2-ethylhexyl)-10-methyl-7-octyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-1-methylthieno[3,4-c]pyrrole-4,6-dione
CID 123385671
5-decyl-3-[7-(2-ethylhexyl)-10-methyl-7-octyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-1-methylthieno[3,4-c]pyrrole-4,6-dione
CID 123333185
4-[4,8-bis(2-hexyldecoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-11-methyl-8-(2-tetradecyloctadecyl)-3,7λ6,12-trithia-8-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene 7,7-dioxide
CID 121356612
8-(2-methylpentoxy)octyl 6-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-methylthieno[3,4-d][1,3]thiazole-2-carboxylate
CID 123464170

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[5-[5-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-3-[2-(decylsulfamoyl)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-5-methylthiophen-3-yl]-N-decylethanesulfonamide;2-[2-[2-[5-[5-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-[2-(decylsulfamoyl)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-5-methylthiophen-3-yl]-N-decylethanesulfonamide;2-[2-[5-[5-[10-[5-[2-[5-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-tetradecylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-tetradecylthiophen-2-yl]-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-[2-(octylsulfamoyl)ethyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylthiophen-3-yl]-N-octylethanesulfonamide?
The IUPAC name of 2-[2-[2-[5-[5-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-3-[2-(decylsulfamoyl)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-5-methylthiophen-3-yl]-N-decylethanesulfonamide;2-[2-[2-[5-[5-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-[2-(decylsulfamoyl)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-5-methylthiophen-3-yl]-N-decylethanesulfonamide;2-[2-[5-[5-[10-[5-[2-[5-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-tetradecylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-tetradecylthiophen-2-yl]-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-[2-(octylsulfamoyl)ethyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylthiophen-3-yl]-N-octylethanesulfonamide (CID 162155673) is 2-[2-[2-[5-[5-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-3-[2-(decylsulfamoyl)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-5-methylthiophen-3-yl]-N-decylethanesulfonamide;2-[2-[2-[5-[5-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-[2-(decylsulfamoyl)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-5-methylthiophen-3-yl]-N-decylethanesulfonamide;2-[2-[5-[5-[10-[5-[2-[5-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-tetradecylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-tetradecylthiophen-2-yl]-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-[2-(octylsulfamoyl)ethyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylthiophen-3-yl]-N-octylethanesulfonamide.
What is the SMILES notation for 2-[2-[2-[5-[5-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-3-[2-(decylsulfamoyl)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-5-methylthiophen-3-yl]-N-decylethanesulfonamide;2-[2-[2-[5-[5-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-[2-(decylsulfamoyl)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-5-methylthiophen-3-yl]-N-decylethanesulfonamide;2-[2-[5-[5-[10-[5-[2-[5-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-tetradecylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-tetradecylthiophen-2-yl]-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-[2-(octylsulfamoyl)ethyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylthiophen-3-yl]-N-octylethanesulfonamide?
The canonical SMILES for 2-[2-[2-[5-[5-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-3-[2-(decylsulfamoyl)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-5-methylthiophen-3-yl]-N-decylethanesulfonamide;2-[2-[2-[5-[5-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-[2-(decylsulfamoyl)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-5-methylthiophen-3-yl]-N-decylethanesulfonamide;2-[2-[5-[5-[10-[5-[2-[5-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-tetradecylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-tetradecylthiophen-2-yl]-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-[2-(octylsulfamoyl)ethyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylthiophen-3-yl]-N-octylethanesulfonamide is CCCCCCCCCCCCCCc1cc(-c2cc3c(s2)-c2sc(C)cc2[Si]3(CC(CC)CCCC)CC(CC)CCCC)sc1-c1nc2sc(-c3sc(-c4cc5c(s4)-c4sc(-c6cc(CCS(=O)(=O)NCCCCCCCC)c(-c7nc8sc(-c9sc(C)cc9CCS(=O)(=O)NCCCCCCCC)nc8s7)s6)cc4[Si]5(CC(CC)CCCC)CC(CC)CCCC)cc3CCCCCCCCCCCCCC)nc2s1.CCCCCCCCCCNS(=O)(=O)CCc1cc(C)sc1-c1cnc(-c2ncc(-c3sc(-c4cc5c(OCC(CC)CCCC)c6sc(C)cc6c(OCC(CC)CCCC)c5s4)cc3CCS(=O)(=O)NCCCCCCCCCC)s2)s1.CCCCCCCCCCNS(=O)(=O)CCc1cc(C)sc1-c1cnc(-c2ncc(-c3sc(-c4cc5c(s4)-c4sc(C)cc4[Si]5(CC(CC)CCCC)CC(CC)CCCC)cc3CCS(=O)(=O)NCCCCCCCCCC)s2)s1.
What is the InChIKey of 2-[2-[2-[5-[5-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-3-[2-(decylsulfamoyl)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-5-methylthiophen-3-yl]-N-decylethanesulfonamide;2-[2-[2-[5-[5-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-[2-(decylsulfamoyl)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-5-methylthiophen-3-yl]-N-decylethanesulfonamide;2-[2-[5-[5-[10-[5-[2-[5-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-tetradecylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-tetradecylthiophen-2-yl]-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-[2-(octylsulfamoyl)ethyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylthiophen-3-yl]-N-octylethanesulfonamide?
The InChIKey is ZLUFRSAGEIHPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C122H184N6O4S14Si2.C66H98N4O6S8.C64H98N4O4S8Si/c1-15-27-35-39-43-45-47-49-51-53-55-59-67-93-77-97(100-80-104-112(138-100)111-103(76-88(14)134-111)147(104,83-89(23-9)63-31-19-5)84-90(24-10)64-32-20-6)135-108(93)116-126-121-122(142-116)127-117(143-121)109-94(68-60-56-54-52-50-48-46-44-40-36-28-16-2)78-98(136-109)101-81-105-113(139-101)114-106(148(105,85-91(25-11)65-33-21-7)86-92(26-12)66-34-22-8)82-102(140-114)99-79-96(70-74-146(131,132)124-72-62-58-42-38-30-18-4)110(137-99)118-128-120-119(144-118)125-115(141-120)107-95(75-87(13)133-107)69-73-145(129,130)123-71-61-57-41-37-29-17-3;1-9-15-19-21-23-25-27-29-35-69-83(71,72)37-33-51-39-47(7)77-61(51)57-43-67-65(81-57)66-68-44-58(82-66)62-52(34-38-84(73,74)70-36-30-28-26-24-22-20-16-10-2)41-55(79-62)56-42-54-60(76-46-50(14-6)32-18-12-4)63-53(40-48(8)78-63)59(64(54)80-56)75-45-49(13-5)31-17-11-3;1-9-15-19-21-23-25-27-29-35-67-79(69,70)37-33-51-39-47(7)73-59(51)55-43-65-63(77-55)64-66-44-56(78-64)60-52(34-38-80(71,72)68-36-30-28-26-24-22-20-16-10-2)41-53(75-60)54-42-58-62(76-54)61-57(40-48(8)74-61)81(58,45-49(13-5)31-17-11-3)46-50(14-6)32-18-12-4/h75-82,89-92,123-124H,15-74,83-86H2,1-14H3;39-44,49-50,69-70H,9-38,45-46H2,1-8H3;39-44,49-50,67-68H,9-38,45-46H2,1-8H3.
What are the key properties of 2-[2-[2-[5-[5-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-3-[2-(decylsulfamoyl)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-5-methylthiophen-3-yl]-N-decylethanesulfonamide;2-[2-[2-[5-[5-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-[2-(decylsulfamoyl)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-5-methylthiophen-3-yl]-N-decylethanesulfonamide;2-[2-[5-[5-[10-[5-[2-[5-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-tetradecylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-tetradecylthiophen-2-yl]-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-[2-(octylsulfamoyl)ethyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylthiophen-3-yl]-N-octylethanesulfonamide?
2-[2-[2-[5-[5-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-3-[2-(decylsulfamoyl)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-5-methylthiophen-3-yl]-N-decylethanesulfonamide;2-[2-[2-[5-[5-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-[2-(decylsulfamoyl)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-5-methylthiophen-3-yl]-N-decylethanesulfonamide;2-[2-[5-[5-[10-[5-[2-[5-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-tetradecylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-tetradecylthiophen-2-yl]-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-[2-(octylsulfamoyl)ethyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylthiophen-3-yl]-N-octylethanesulfonamide has a molecular weight of 4876.16 g/mol, XLogP of 80.83, 165 rotatable bonds, 6 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[5-[5-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-3-[2-(decylsulfamoyl)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-5-methylthiophen-3-yl]-N-decylethanesulfonamide;2-[2-[2-[5-[5-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-[2-(decylsulfamoyl)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-5-methylthiophen-3-yl]-N-decylethanesulfonamide;2-[2-[5-[5-[10-[5-[2-[5-[7,7-bis(2-ethylhexyl)-10-methyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-tetradecylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-tetradecylthiophen-2-yl]-7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-[2-(octylsulfamoyl)ethyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylthiophen-3-yl]-N-octylethanesulfonamide is sourced from PubChem (CID 162155673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).