(5Z)-3-heptyl-5-[[5-[5-[5-[2-[5-[5-[5-[(Z)-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-3-heptyl-5-[[5-[5-[2-[2-[5-[5-[5-[(Z)-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]thieno[2,3-f][1]benzothiol-6-yl]-1,3-thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[4-octyl-5-[5-[3-octyl-5-[2-[4-octyl-5-[5-[3-octyl-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione

C214H240N14O12S30 — CID 161076592

IUPAC(5Z)-3-heptyl-5-[[5-[5-[5-[2-[5-[5-[5-[(Z)-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-3-heptyl-5-[[5-[5-[2-[2-[5-[5-[5-[(Z)-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]thieno[2,3-f][1]benzothiol-6-yl]-1,3-thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[4-octyl-5-[5-[3-octyl-5-[2-[4-octyl-5-[5-[3-octyl-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
SMILESCCCCCCCCc1cc(/C=C2\SC(=S)N(CCCCCCC)C2=O)sc1-c1ccc(-c2sc(-c3nc4cc5oc(-c6cc(CCCCCCCC)c(-c7ccc(-c8sc(/C=C9\SC(=S)N(CCCCCCC)C9=O)cc8CCCCCCCC)s7)s6)nc5cc4o3)cc2CCCCCCCC)s1.CCCCCCCCc1cc(C=C2C(=O)NC(=O)NC2=O)sc1-c1ccc(-c2sc(-c3nc4cc5sc(-c6cc(CCCCCCCC)c(-c7ccc(-c8sc(C=C9C(=O)NC(=O)NC9=O)cc8CCCCCCCC)s7)s6)nc5cc4s3)cc2CCCCCCCC)s1.CCCCCCCN1C(=O)/C(=C/c2ccc(-c3ccc(-c4cnc(-c5cc6cc7sc(-c8ncc(-c9ccc(-c%10ccc(/C=C%11\SC(=S)N(CCCCCCC)C%11=O)s%10)s9)s8)cc7cc6s5)s4)s3)s2)SC1=S
InChIInChI=1S/C86H110N4O4S10.C74H84N6O6S8.C54H46N4O2S12/c1-7-13-19-25-29-35-41-59-51-63(55-75-83(91)89(85(95)103-75)49-39-33-23-17-11-5)97-77(59)69-45-47-71(99-69)79-61(43-37-31-27-21-15-9-3)53-73(101-79)81-87-65-57-68-66(58-67(65)93-81)88-82(94-68)74-54-62(44-38-32-28-22-16-10-4)80(102-74)72-48-46-70(100-72)78-60(42-36-30-26-20-14-8-2)52-64(98-78)56-76-84(92)90(86(96)104-76)50-40-34-24-18-12-6;1-5-9-13-17-21-25-29-45-37-49(41-51-67(81)77-73(85)78-68(51)82)87-63(45)55-33-35-57(89-55)65-47(31-27-23-19-15-11-7-3)39-61(91-65)71-75-53-43-60-54(44-59(53)93-71)76-72(94-60)62-40-48(32-28-24-20-16-12-8-4)66(92-62)58-36-34-56(90-58)64-46(30-26-22-18-14-10-6-2)38-50(88-64)42-52-69(83)79-74(86)80-70(52)84;1-3-5-7-9-11-21-57-51(59)45(71-53(57)61)27-33-13-15-35(63-33)37-17-19-39(65-37)47-29-55-49(69-47)43-25-31-23-42-32(24-41(31)67-43)26-44(68-42)50-56-30-48(70-50)40-20-18-38(66-40)36-16-14-34(64-36)28-46-52(60)58(54(62)72-46)22-12-10-8-6-4-2/h45-48,51-58H,7-44,49-50H2,1-6H3;33-44H,5-32H2,1-4H3,(H2,77,78,81,82,85)(H2,79,80,83,84,86);13-20,23-30H,3-12,21-22H2,1-2H3/b75-55-,76-56-;;45-27-,46-28-
InChIKeyUFIZNKWMLWTPPD-CLLZMUQISA-N
MW4162.37 g/mol
LogP72.30
Rot. Bonds104

About (5Z)-3-heptyl-5-[[5-[5-[5-[2-[5-[5-[5-[(Z)-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-3-heptyl-5-[[5-[5-[2-[2-[5-[5-[5-[(Z)-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]thieno[2,3-f][1]benzothiol-6-yl]-1,3-thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[4-octyl-5-[5-[3-octyl-5-[2-[4-octyl-5-[5-[3-octyl-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione

(5Z)-3-heptyl-5-[[5-[5-[5-[2-[5-[5-[5-[(Z)-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-3-heptyl-5-[[5-[5-[2-[2-[5-[5-[5-[(Z)-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]thieno[2,3-f][1]benzothiol-6-yl]-1,3-thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[4-octyl-5-[5-[3-octyl-5-[2-[4-octyl-5-[5-[3-octyl-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 161076592) has the molecular formula C214H240N14O12S30 and a molecular weight of 4162.37 g/mol. Its IUPAC name is (5Z)-3-heptyl-5-[[5-[5-[5-[2-[5-[5-[5-[(Z)-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-3-heptyl-5-[[5-[5-[2-[2-[5-[5-[5-[(Z)-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]thieno[2,3-f][1]benzothiol-6-yl]-1,3-thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[4-octyl-5-[5-[3-octyl-5-[2-[4-octyl-5-[5-[3-octyl-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5Z)-3-heptyl-5-[[5-[5-[5-[2-[5-[5-[5-[(Z)-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-3-heptyl-5-[[5-[5-[2-[2-[5-[5-[5-[(Z)-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]thieno[2,3-f][1]benzothiol-6-yl]-1,3-thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[4-octyl-5-[5-[3-octyl-5-[2-[4-octyl-5-[5-[3-octyl-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID161076592
Molecular FormulaC214H240N14O12S30
Molecular Weight4162.37 g/mol
Exact Mass4157.02
IUPAC Name(5Z)-3-heptyl-5-[[5-[5-[5-[2-[5-[5-[5-[(Z)-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-3-heptyl-5-[[5-[5-[2-[2-[5-[5-[5-[(Z)-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]thieno[2,3-f][1]benzothiol-6-yl]-1,3-thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[4-octyl-5-[5-[3-octyl-5-[2-[4-octyl-5-[5-[3-octyl-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
SMILESCCCCCCCCc1cc(/C=C2\SC(=S)N(CCCCCCC)C2=O)sc1-c1ccc(-c2sc(-c3nc4cc5oc(-c6cc(CCCCCCCC)c(-c7ccc(-c8sc(/C=C9\SC(=S)N(CCCCCCC)C9=O)cc8CCCCCCCC)s7)s6)nc5cc4o3)cc2CCCCCCCC)s1.CCCCCCCCc1cc(C=C2C(=O)NC(=O)NC2=O)sc1-c1ccc(-c2sc(-c3nc4cc5sc(-c6cc(CCCCCCCC)c(-c7ccc(-c8sc(C=C9C(=O)NC(=O)NC9=O)cc8CCCCCCCC)s7)s6)nc5cc4s3)cc2CCCCCCCC)s1.CCCCCCCN1C(=O)/C(=C/c2ccc(-c3ccc(-c4cnc(-c5cc6cc7sc(-c8ncc(-c9ccc(-c%10ccc(/C=C%11\SC(=S)N(CCCCCCC)C%11=O)s%10)s9)s8)cc7cc6s5)s4)s3)s2)SC1=S
InChIInChI=1S/C86H110N4O4S10.C74H84N6O6S8.C54H46N4O2S12/c1-7-13-19-25-29-35-41-59-51-63(55-75-83(91)89(85(95)103-75)49-39-33-23-17-11-5)97-77(59)69-45-47-71(99-69)79-61(43-37-31-27-21-15-9-3)53-73(101-79)81-87-65-57-68-66(58-67(65)93-81)88-82(94-68)74-54-62(44-38-32-28-22-16-10-4)80(102-74)72-48-46-70(100-72)78-60(42-36-30-26-20-14-8-2)52-64(98-78)56-76-84(92)90(86(96)104-76)50-40-34-24-18-12-6;1-5-9-13-17-21-25-29-45-37-49(41-51-67(81)77-73(85)78-68(51)82)87-63(45)55-33-35-57(89-55)65-47(31-27-23-19-15-11-7-3)39-61(91-65)71-75-53-43-60-54(44-59(53)93-71)76-72(94-60)62-40-48(32-28-24-20-16-12-8-4)66(92-62)58-36-34-56(90-58)64-46(30-26-22-18-14-10-6-2)38-50(88-64)42-52-69(83)79-74(86)80-70(52)84;1-3-5-7-9-11-21-57-51(59)45(71-53(57)61)27-33-13-15-35(63-33)37-17-19-39(65-37)47-29-55-49(69-47)43-25-31-23-42-32(24-41(31)67-43)26-44(68-42)50-56-30-48(70-50)40-20-18-38(66-40)36-16-14-34(64-36)28-46-52(60)58(54(62)72-46)22-12-10-8-6-4-2/h45-48,51-58H,7-44,49-50H2,1-6H3;33-44H,5-32H2,1-4H3,(H2,77,78,81,82,85)(H2,79,80,83,84,86);13-20,23-30H,3-12,21-22H2,1-2H3/b75-55-,76-56-;;45-27-,46-28-
InChIKeyUFIZNKWMLWTPPD-CLLZMUQISA-N
XLogP72.30
TPSA335.40 Ų
H-Bond Donors4
H-Bond Acceptors48
Rotatable Bonds104
Heavy Atoms270
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004162.37
LogP ≤ 572.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze (5Z)-3-heptyl-5-[[5-[5-[5-[2-[5-[5-[5-[(Z)-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-3-heptyl-5-[[5-[5-[2-[2-[5-[5-[5-[(Z)-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]thieno[2,3-f][1]benzothiol-6-yl]-1,3-thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[4-octyl-5-[5-[3-octyl-5-[2-[4-octyl-5-[5-[3-octyl-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione with MolForge

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Launch Full Analysis

Related Compounds

(5Z)-3-ethyl-5-[[5-[2-[5-[5-[5-[5-[5-[2-[5-[5-[(E)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-3-hexylthiophen-2-yl]-4-hexyl-1,3-thiazol-2-yl]-4-hexyl-1,3-thiazol-5-yl]-4-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexylthiophen-2-yl]-4-hexyl-1,3-thiazol-2-yl]-4-hexyl-1,3-thiazol-5-yl]-4-hexylthiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 177453759
(5E)-3-ethyl-5-[[5-[5-[5-[5-[5-[(E)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-3-octylthiophen-2-yl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]-4-octylthiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 90162980
2-[[5-[5-[5-[2-[5-[5-[5-[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]methylidene]-5,5-dimethylcyclohexane-1,3-dione
CID 134530768
(5Z)-3-ethyl-5-[[5-[5-[5-[10-[5-[5-[5-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]-7,7-dioctyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 132509166
(5Z)-3-decyl-5-[[5-[5-[(Z)-(3-decyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 140958644
(5Z)-5-[[5-[5-[5-[4,8-bis[5-(2-ethylhexyl)thiophen-2-yl]-2-[4-octyl-5-[5-[3-octyl-5-[(Z)-(3-octyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thieno[2,3-f][1]benzothiol-6-yl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]methylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 102593401
2-[(5Z)-5-[[5-[3-hexyl-5-[3-hexyl-5-(4-hexyl-5-pyren-1-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 152786841
(5Z)-3-ethyl-5-[[5-[5-[5-[2-[5-[5-[5-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]-4,8-bis[[5-(2-hexyldecyl)thieno[3,2-b]thiophen-2-yl]methyl]thieno[2,3-f][1]benzothiol-6-yl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 132515085
5-[[5-[5-[5-[4,8-bis[5-(2-ethylhexyl)thiophen-2-yl]-2-[5-[5-[5-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]thieno[2,3-f][1]benzothiol-6-yl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 155891100
(5Z)-3-heptyl-5-[[2-[5-[5-[2-[5-[5-[5-[(Z)-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-thiazol-2-yl]thiophen-2-yl]thiophen-2-yl]-4,8-bis[2-tri(propan-2-yl)silylethynyl]thieno[2,3-f][1]benzothiol-6-yl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 140874370
(5E)-5-[[5-[5-[5-[4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-2-[4-hexyl-5-[4-hexyl-5-[5-[(Z)-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thieno[2,3-f][1]benzothiol-6-yl]-3-hexylthiophen-2-yl]-3-hexylthiophen-2-yl]thiophen-2-yl]methylidene]-3-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 156599819
2-ethylhexyl 4,6-bis[5-[5-[5-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]-3-fluorothieno[2,3-c]thiophene-2-carboxylate
CID 132511805

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-heptyl-5-[[5-[5-[5-[2-[5-[5-[5-[(Z)-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-3-heptyl-5-[[5-[5-[2-[2-[5-[5-[5-[(Z)-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]thieno[2,3-f][1]benzothiol-6-yl]-1,3-thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[4-octyl-5-[5-[3-octyl-5-[2-[4-octyl-5-[5-[3-octyl-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5Z)-3-heptyl-5-[[5-[5-[5-[2-[5-[5-[5-[(Z)-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-3-heptyl-5-[[5-[5-[2-[2-[5-[5-[5-[(Z)-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]thieno[2,3-f][1]benzothiol-6-yl]-1,3-thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[4-octyl-5-[5-[3-octyl-5-[2-[4-octyl-5-[5-[3-octyl-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione (CID 161076592) is (5Z)-3-heptyl-5-[[5-[5-[5-[2-[5-[5-[5-[(Z)-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-3-heptyl-5-[[5-[5-[2-[2-[5-[5-[5-[(Z)-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]thieno[2,3-f][1]benzothiol-6-yl]-1,3-thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[4-octyl-5-[5-[3-octyl-5-[2-[4-octyl-5-[5-[3-octyl-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5Z)-3-heptyl-5-[[5-[5-[5-[2-[5-[5-[5-[(Z)-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-3-heptyl-5-[[5-[5-[2-[2-[5-[5-[5-[(Z)-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]thieno[2,3-f][1]benzothiol-6-yl]-1,3-thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[4-octyl-5-[5-[3-octyl-5-[2-[4-octyl-5-[5-[3-octyl-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5Z)-3-heptyl-5-[[5-[5-[5-[2-[5-[5-[5-[(Z)-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-3-heptyl-5-[[5-[5-[2-[2-[5-[5-[5-[(Z)-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]thieno[2,3-f][1]benzothiol-6-yl]-1,3-thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[4-octyl-5-[5-[3-octyl-5-[2-[4-octyl-5-[5-[3-octyl-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione is CCCCCCCCc1cc(/C=C2\SC(=S)N(CCCCCCC)C2=O)sc1-c1ccc(-c2sc(-c3nc4cc5oc(-c6cc(CCCCCCCC)c(-c7ccc(-c8sc(/C=C9\SC(=S)N(CCCCCCC)C9=O)cc8CCCCCCCC)s7)s6)nc5cc4o3)cc2CCCCCCCC)s1.CCCCCCCCc1cc(C=C2C(=O)NC(=O)NC2=O)sc1-c1ccc(-c2sc(-c3nc4cc5sc(-c6cc(CCCCCCCC)c(-c7ccc(-c8sc(C=C9C(=O)NC(=O)NC9=O)cc8CCCCCCCC)s7)s6)nc5cc4s3)cc2CCCCCCCC)s1.CCCCCCCN1C(=O)/C(=C/c2ccc(-c3ccc(-c4cnc(-c5cc6cc7sc(-c8ncc(-c9ccc(-c%10ccc(/C=C%11\SC(=S)N(CCCCCCC)C%11=O)s%10)s9)s8)cc7cc6s5)s4)s3)s2)SC1=S.
What is the InChIKey of (5Z)-3-heptyl-5-[[5-[5-[5-[2-[5-[5-[5-[(Z)-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-3-heptyl-5-[[5-[5-[2-[2-[5-[5-[5-[(Z)-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]thieno[2,3-f][1]benzothiol-6-yl]-1,3-thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[4-octyl-5-[5-[3-octyl-5-[2-[4-octyl-5-[5-[3-octyl-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is UFIZNKWMLWTPPD-CLLZMUQISA-N. The full InChI is InChI=1S/C86H110N4O4S10.C74H84N6O6S8.C54H46N4O2S12/c1-7-13-19-25-29-35-41-59-51-63(55-75-83(91)89(85(95)103-75)49-39-33-23-17-11-5)97-77(59)69-45-47-71(99-69)79-61(43-37-31-27-21-15-9-3)53-73(101-79)81-87-65-57-68-66(58-67(65)93-81)88-82(94-68)74-54-62(44-38-32-28-22-16-10-4)80(102-74)72-48-46-70(100-72)78-60(42-36-30-26-20-14-8-2)52-64(98-78)56-76-84(92)90(86(96)104-76)50-40-34-24-18-12-6;1-5-9-13-17-21-25-29-45-37-49(41-51-67(81)77-73(85)78-68(51)82)87-63(45)55-33-35-57(89-55)65-47(31-27-23-19-15-11-7-3)39-61(91-65)71-75-53-43-60-54(44-59(53)93-71)76-72(94-60)62-40-48(32-28-24-20-16-12-8-4)66(92-62)58-36-34-56(90-58)64-46(30-26-22-18-14-10-6-2)38-50(88-64)42-52-69(83)79-74(86)80-70(52)84;1-3-5-7-9-11-21-57-51(59)45(71-53(57)61)27-33-13-15-35(63-33)37-17-19-39(65-37)47-29-55-49(69-47)43-25-31-23-42-32(24-41(31)67-43)26-44(68-42)50-56-30-48(70-50)40-20-18-38(66-40)36-16-14-34(64-36)28-46-52(60)58(54(62)72-46)22-12-10-8-6-4-2/h45-48,51-58H,7-44,49-50H2,1-6H3;33-44H,5-32H2,1-4H3,(H2,77,78,81,82,85)(H2,79,80,83,84,86);13-20,23-30H,3-12,21-22H2,1-2H3/b75-55-,76-56-;;45-27-,46-28-.
What are the key properties of (5Z)-3-heptyl-5-[[5-[5-[5-[2-[5-[5-[5-[(Z)-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-3-heptyl-5-[[5-[5-[2-[2-[5-[5-[5-[(Z)-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]thieno[2,3-f][1]benzothiol-6-yl]-1,3-thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[4-octyl-5-[5-[3-octyl-5-[2-[4-octyl-5-[5-[3-octyl-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione?
(5Z)-3-heptyl-5-[[5-[5-[5-[2-[5-[5-[5-[(Z)-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-3-heptyl-5-[[5-[5-[2-[2-[5-[5-[5-[(Z)-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]thieno[2,3-f][1]benzothiol-6-yl]-1,3-thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[4-octyl-5-[5-[3-octyl-5-[2-[4-octyl-5-[5-[3-octyl-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 4162.37 g/mol, XLogP of 72.30, 104 rotatable bonds, 4 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-heptyl-5-[[5-[5-[5-[2-[5-[5-[5-[(Z)-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-3-heptyl-5-[[5-[5-[2-[2-[5-[5-[5-[(Z)-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]thieno[2,3-f][1]benzothiol-6-yl]-1,3-thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[4-octyl-5-[5-[3-octyl-5-[2-[4-octyl-5-[5-[3-octyl-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 161076592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).