4-[5-[6-[4-(2-decoxyethyl)-5-methylthiophen-2-yl]naphthalen-2-yl]-3-propylthiophen-2-yl]-1-methylfuro[3,4-c]furan-3,6-dione;(3E)-1-(7-decylnonadecyl)-3-[1-(7-decylnonadecyl)-6-[5-[(E)-2-(5-methylselenophen-2-yl)ethenyl]selenophen-2-yl]-2-oxoindol-3-ylidene]-6-methylindol-2-one;(6E)-2-methyl-6-[2-(6-methylnaphthalen-2-yl)-4-(2-octyldodecyl)-5-oxothieno[3,2-b]pyrrol-6-ylidene]-4-(2-octyldodecyl)thieno[3,2-b]pyrrol-5-one;1-methyl-4-[5-[10-(5-methyl-3-propylthiophen-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-(2-octoxyethyl)thiophen-2-yl]thieno[3,4-c]thiophene-3,6-dione;1-methyl-4-[5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thiophen-2-yl]-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-3,6-dione

C294H414N6O14S15Se2 — CID 158526394

IUPAC4-[5-[6-[4-(2-decoxyethyl)-5-methylthiophen-2-yl]naphthalen-2-yl]-3-propylthiophen-2-yl]-1-methylfuro[3,4-c]furan-3,6-dione;(3E)-1-(7-decylnonadecyl)-3-[1-(7-decylnonadecyl)-6-[5-[(E)-2-(5-methylselenophen-2-yl)ethenyl]selenophen-2-yl]-2-oxoindol-3-ylidene]-6-methylindol-2-one;(6E)-2-methyl-6-[2-(6-methylnaphthalen-2-yl)-4-(2-octyldodecyl)-5-oxothieno[3,2-b]pyrrol-6-ylidene]-4-(2-octyldodecyl)thieno[3,2-b]pyrrol-5-one;1-methyl-4-[5-[10-(5-methyl-3-propylthiophen-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-(2-octoxyethyl)thiophen-2-yl]thieno[3,4-c]thiophene-3,6-dione;1-methyl-4-[5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thiophen-2-yl]-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-3,6-dione
SMILESCCCCCCCCCCC(CCCCCCCC)CN1C(=O)/C(=C2/C(=O)N(CC(CCCCCCCC)CCCCCCCCCC)c3cc(-c4ccc5cc(C)ccc5c4)sc32)c2sc(C)cc21.CCCCCCCCCCC(CCCCCCCC)CN1C(=O)C2=C(c3ccc(-c4ccc(/C=C/c5ccc(-c6ccc(C)s6)s5)s4)s3)N(CC(CCCCCCCC)CCCCCCCCCC)C(=O)C2=C1C.CCCCCCCCCCCCC(CCCCCCCCCC)CCCCCCN1C(=O)/C(=C2/C(=O)N(CCCCCCC(CCCCCCCCCC)CCCCCCCCCCCC)c3cc(-c4ccc(/C=C/c5ccc(C)[se]5)[se]4)ccc32)c2ccc(C)cc21.CCCCCCCCCCOCCc1cc(-c2ccc3cc(-c4cc(CCC)c(C5=C6C(=O)OC(C)=C6C(=O)O5)s4)ccc3c2)sc1C.CCCCCCCCOCCc1cc(C2=C3C(=O)SC(C)=C3C(=O)S2)sc1-c1cc2sc3cc(-c4sc(C)cc4CCC)sc3c2s1
InChIInChI=1S/C86H136N2O2Se2.C66H98N2O2S4.C64H96N2O2S2.C41H46O5S2.C37H38O3S7/c1-7-11-15-19-23-27-29-33-37-45-53-73(51-43-35-31-25-21-17-13-9-3)55-47-39-41-49-67-87-80-69-71(5)57-64-78(80)83(85(87)89)84-79-65-59-75(82-66-63-77(92-82)62-61-76-60-58-72(6)91-76)70-81(79)88(86(84)90)68-50-42-40-48-56-74(52-44-36-32-26-22-18-14-10-4)54-46-38-34-30-28-24-20-16-12-8-2;1-7-11-15-19-23-25-29-33-36-53(35-31-27-21-17-13-9-3)49-67-52(6)62-63(66(67)70)64(68(65(62)69)50-54(37-32-28-22-18-14-10-4)38-34-30-26-24-20-16-12-8-2)61-48-47-60(74-61)59-46-43-56(73-59)41-40-55-42-45-58(72-55)57-44-39-51(5)71-57;1-7-11-15-19-23-25-29-33-37-51(35-31-27-21-17-13-9-3)47-65-56-44-50(6)69-61(56)59(63(65)67)60-62-57(46-58(70-62)55-42-41-53-43-49(5)39-40-54(53)45-55)66(64(60)68)48-52(36-32-28-22-18-14-10-4)38-34-30-26-24-20-16-12-8-2;1-5-7-8-9-10-11-12-13-20-44-21-19-28-24-34(47-27(28)4)31-17-15-30-23-32(18-16-29(30)22-31)35-25-33(14-6-2)39(48-35)38-37-36(40(42)46-38)26(3)45-41(37)43;1-5-7-8-9-10-11-14-40-15-13-23-17-24(33-30-29(36(38)47-33)21(4)42-37(30)39)44-32(23)26-19-28-35(46-26)34-27(43-28)18-25(45-34)31-22(12-6-2)16-20(3)41-31/h57-66,69-70,73-74H,7-56,67-68H2,1-6H3;39-48,53-54H,7-38,49-50H2,1-6H3;39-46,51-52H,7-38,47-48H2,1-6H3;15-18,22-25H,5-14,19-21H2,1-4H3;16-19H,5-15H2,1-4H3/b62-61+,84-83+;41-40+;60-59+;;
InChIKeyHMVJYAQCKZBGJD-ZDBKZPGTSA-N
MW4895.50 g/mol
LogP94.23
Rot. Bonds167

About 4-[5-[6-[4-(2-decoxyethyl)-5-methylthiophen-2-yl]naphthalen-2-yl]-3-propylthiophen-2-yl]-1-methylfuro[3,4-c]furan-3,6-dione;(3E)-1-(7-decylnonadecyl)-3-[1-(7-decylnonadecyl)-6-[5-[(E)-2-(5-methylselenophen-2-yl)ethenyl]selenophen-2-yl]-2-oxoindol-3-ylidene]-6-methylindol-2-one;(6E)-2-methyl-6-[2-(6-methylnaphthalen-2-yl)-4-(2-octyldodecyl)-5-oxothieno[3,2-b]pyrrol-6-ylidene]-4-(2-octyldodecyl)thieno[3,2-b]pyrrol-5-one;1-methyl-4-[5-[10-(5-methyl-3-propylthiophen-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-(2-octoxyethyl)thiophen-2-yl]thieno[3,4-c]thiophene-3,6-dione;1-methyl-4-[5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thiophen-2-yl]-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-3,6-dione

4-[5-[6-[4-(2-decoxyethyl)-5-methylthiophen-2-yl]naphthalen-2-yl]-3-propylthiophen-2-yl]-1-methylfuro[3,4-c]furan-3,6-dione;(3E)-1-(7-decylnonadecyl)-3-[1-(7-decylnonadecyl)-6-[5-[(E)-2-(5-methylselenophen-2-yl)ethenyl]selenophen-2-yl]-2-oxoindol-3-ylidene]-6-methylindol-2-one;(6E)-2-methyl-6-[2-(6-methylnaphthalen-2-yl)-4-(2-octyldodecyl)-5-oxothieno[3,2-b]pyrrol-6-ylidene]-4-(2-octyldodecyl)thieno[3,2-b]pyrrol-5-one;1-methyl-4-[5-[10-(5-methyl-3-propylthiophen-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-(2-octoxyethyl)thiophen-2-yl]thieno[3,4-c]thiophene-3,6-dione;1-methyl-4-[5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thiophen-2-yl]-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-3,6-dione (PubChem CID 158526394) has the molecular formula C294H414N6O14S15Se2 and a molecular weight of 4895.50 g/mol. Its IUPAC name is 4-[5-[6-[4-(2-decoxyethyl)-5-methylthiophen-2-yl]naphthalen-2-yl]-3-propylthiophen-2-yl]-1-methylfuro[3,4-c]furan-3,6-dione;(3E)-1-(7-decylnonadecyl)-3-[1-(7-decylnonadecyl)-6-[5-[(E)-2-(5-methylselenophen-2-yl)ethenyl]selenophen-2-yl]-2-oxoindol-3-ylidene]-6-methylindol-2-one;(6E)-2-methyl-6-[2-(6-methylnaphthalen-2-yl)-4-(2-octyldodecyl)-5-oxothieno[3,2-b]pyrrol-6-ylidene]-4-(2-octyldodecyl)thieno[3,2-b]pyrrol-5-one;1-methyl-4-[5-[10-(5-methyl-3-propylthiophen-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-(2-octoxyethyl)thiophen-2-yl]thieno[3,4-c]thiophene-3,6-dione;1-methyl-4-[5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thiophen-2-yl]-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-3,6-dione.

Molecular Properties

Compound Name4-[5-[6-[4-(2-decoxyethyl)-5-methylthiophen-2-yl]naphthalen-2-yl]-3-propylthiophen-2-yl]-1-methylfuro[3,4-c]furan-3,6-dione;(3E)-1-(7-decylnonadecyl)-3-[1-(7-decylnonadecyl)-6-[5-[(E)-2-(5-methylselenophen-2-yl)ethenyl]selenophen-2-yl]-2-oxoindol-3-ylidene]-6-methylindol-2-one;(6E)-2-methyl-6-[2-(6-methylnaphthalen-2-yl)-4-(2-octyldodecyl)-5-oxothieno[3,2-b]pyrrol-6-ylidene]-4-(2-octyldodecyl)thieno[3,2-b]pyrrol-5-one;1-methyl-4-[5-[10-(5-methyl-3-propylthiophen-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-(2-octoxyethyl)thiophen-2-yl]thieno[3,4-c]thiophene-3,6-dione;1-methyl-4-[5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thiophen-2-yl]-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-3,6-dione
PubChem CID158526394
Molecular FormulaC294H414N6O14S15Se2
Molecular Weight4895.50 g/mol
Exact Mass4892.60
IUPAC Name4-[5-[6-[4-(2-decoxyethyl)-5-methylthiophen-2-yl]naphthalen-2-yl]-3-propylthiophen-2-yl]-1-methylfuro[3,4-c]furan-3,6-dione;(3E)-1-(7-decylnonadecyl)-3-[1-(7-decylnonadecyl)-6-[5-[(E)-2-(5-methylselenophen-2-yl)ethenyl]selenophen-2-yl]-2-oxoindol-3-ylidene]-6-methylindol-2-one;(6E)-2-methyl-6-[2-(6-methylnaphthalen-2-yl)-4-(2-octyldodecyl)-5-oxothieno[3,2-b]pyrrol-6-ylidene]-4-(2-octyldodecyl)thieno[3,2-b]pyrrol-5-one;1-methyl-4-[5-[10-(5-methyl-3-propylthiophen-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-(2-octoxyethyl)thiophen-2-yl]thieno[3,4-c]thiophene-3,6-dione;1-methyl-4-[5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thiophen-2-yl]-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-3,6-dione
SMILESCCCCCCCCCCC(CCCCCCCC)CN1C(=O)/C(=C2/C(=O)N(CC(CCCCCCCC)CCCCCCCCCC)c3cc(-c4ccc5cc(C)ccc5c4)sc32)c2sc(C)cc21.CCCCCCCCCCC(CCCCCCCC)CN1C(=O)C2=C(c3ccc(-c4ccc(/C=C/c5ccc(-c6ccc(C)s6)s5)s4)s3)N(CC(CCCCCCCC)CCCCCCCCCC)C(=O)C2=C1C.CCCCCCCCCCCCC(CCCCCCCCCC)CCCCCCN1C(=O)/C(=C2/C(=O)N(CCCCCCC(CCCCCCCCCC)CCCCCCCCCCCC)c3cc(-c4ccc(/C=C/c5ccc(C)[se]5)[se]4)ccc32)c2ccc(C)cc21.CCCCCCCCCCOCCc1cc(-c2ccc3cc(-c4cc(CCC)c(C5=C6C(=O)OC(C)=C6C(=O)O5)s4)ccc3c2)sc1C.CCCCCCCCOCCc1cc(C2=C3C(=O)SC(C)=C3C(=O)S2)sc1-c1cc2sc3cc(-c4sc(C)cc4CCC)sc3c2s1
InChIInChI=1S/C86H136N2O2Se2.C66H98N2O2S4.C64H96N2O2S2.C41H46O5S2.C37H38O3S7/c1-7-11-15-19-23-27-29-33-37-45-53-73(51-43-35-31-25-21-17-13-9-3)55-47-39-41-49-67-87-80-69-71(5)57-64-78(80)83(85(87)89)84-79-65-59-75(82-66-63-77(92-82)62-61-76-60-58-72(6)91-76)70-81(79)88(86(84)90)68-50-42-40-48-56-74(52-44-36-32-26-22-18-14-10-4)54-46-38-34-30-28-24-20-16-12-8-2;1-7-11-15-19-23-25-29-33-36-53(35-31-27-21-17-13-9-3)49-67-52(6)62-63(66(67)70)64(68(65(62)69)50-54(37-32-28-22-18-14-10-4)38-34-30-26-24-20-16-12-8-2)61-48-47-60(74-61)59-46-43-56(73-59)41-40-55-42-45-58(72-55)57-44-39-51(5)71-57;1-7-11-15-19-23-25-29-33-37-51(35-31-27-21-17-13-9-3)47-65-56-44-50(6)69-61(56)59(63(65)67)60-62-57(46-58(70-62)55-42-41-53-43-49(5)39-40-54(53)45-55)66(64(60)68)48-52(36-32-28-22-18-14-10-4)38-34-30-26-24-20-16-12-8-2;1-5-7-8-9-10-11-12-13-20-44-21-19-28-24-34(47-27(28)4)31-17-15-30-23-32(18-16-29(30)22-31)35-25-33(14-6-2)39(48-35)38-37-36(40(42)46-38)26(3)45-41(37)43;1-5-7-8-9-10-11-14-40-15-13-23-17-24(33-30-29(36(38)47-33)21(4)42-37(30)39)44-32(23)26-19-28-35(46-26)34-27(43-28)18-25(45-34)31-22(12-6-2)16-20(3)41-31/h57-66,69-70,73-74H,7-56,67-68H2,1-6H3;39-48,53-54H,7-38,49-50H2,1-6H3;39-46,51-52H,7-38,47-48H2,1-6H3;15-18,22-25H,5-14,19-21H2,1-4H3;16-19H,5-15H2,1-4H3/b62-61+,84-83+;41-40+;60-59+;;
InChIKeyHMVJYAQCKZBGJD-ZDBKZPGTSA-N
XLogP94.23
TPSA227.06 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds167
Heavy Atoms331
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004895.50
LogP ≤ 594.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 4-[5-[6-[4-(2-decoxyethyl)-5-methylthiophen-2-yl]naphthalen-2-yl]-3-propylthiophen-2-yl]-1-methylfuro[3,4-c]furan-3,6-dione;(3E)-1-(7-decylnonadecyl)-3-[1-(7-decylnonadecyl)-6-[5-[(E)-2-(5-methylselenophen-2-yl)ethenyl]selenophen-2-yl]-2-oxoindol-3-ylidene]-6-methylindol-2-one;(6E)-2-methyl-6-[2-(6-methylnaphthalen-2-yl)-4-(2-octyldodecyl)-5-oxothieno[3,2-b]pyrrol-6-ylidene]-4-(2-octyldodecyl)thieno[3,2-b]pyrrol-5-one;1-methyl-4-[5-[10-(5-methyl-3-propylthiophen-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-(2-octoxyethyl)thiophen-2-yl]thieno[3,4-c]thiophene-3,6-dione;1-methyl-4-[5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thiophen-2-yl]-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-3,6-dione with MolForge

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Related Compounds

1,4-bis[2-[4-(2-hexyldecyl)phenoxy]ethyl]-3-methyl-6-(11-methyl-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)pyrrolo[3,2-b]pyrrole-2,5-dione;(3E)-1-(4-decyltetradecyl)-3-[1-(4-decyltetradecyl)-6-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-oxoindol-3-ylidene]-6-methylindol-2-one;6-[4-dodecyl-5-[5-[5-(3-dodecyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-methylthieno[3,2-b]thiophene-2,5-dione
CID 158530492
2,5-bis(2-decyltetradecyl)-4-[5-(17-methyl-12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaen-7-yl)thiophen-2-yl]-1-(5-methylthiophen-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-didodecyl-1-(5-methylselenophen-2-yl)-4-[5-(17-methyl-12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaen-7-yl)selenophen-2-yl]pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-didodecyl-4-[5-(17-methyl-12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaen-7-yl)thiophen-2-yl]-1-(5-methylthiophen-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;1-(5-methylfuran-2-yl)-4-[5-(17-methyl-12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaen-7-yl)furan-2-yl]-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-3,6-dione
CID 160684107
(3E)-1-(2-hexyldecyl)-3-[1-(2-hexyldecyl)-6-[4-octyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-2-oxoindol-3-ylidene]-6-methylindol-2-one
CID 118041374
1-methyl-4-[5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)selenophen-2-yl]ethenyl]selenophen-2-yl]thiophen-2-yl]-2,5-bis[5-[4-(2-octyldodecyl)phenoxy]pentyl]pyrrolo[3,4-c]pyrrole-3,6-dione
CID 140874244
azane;2,5-bis(2-decyltetradecyl)-1-(5-methylthiophen-2-yl)-4-[5-[5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophen-2-yl]thiophen-2-yl]pyrrolo[3,4-c]pyrrole-3,6-dione
CID 162678849
2,5-bis(2-hexyldecyl)-4-[5-(4-methylphenyl)thiophen-2-yl]-1-(5-methylthiophen-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione
CID 67952901
1-methyl-2-(2-methyldodecyl)-4-[5-[5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-3,6-dione
CID 161292579
4-[3-hexadecyl-4-[10-(2-hexadecyl-4-methylphenyl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]phenyl]-1-methylfuro[3,4-c]furan-3,6-dione
CID 130313585
bis(phosphanyl)phosphane;(3E)-6-bromo-3-[6-bromo-1-(4-decyltetradecyl)-2-oxoindol-3-ylidene]-1-(4-decyltetradecyl)indol-2-one;(3E)-1-(4-decyltetradecyl)-3-[1-(4-decyltetradecyl)-6-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-oxoindol-3-ylidene]-6-methylindol-2-one;methane;trimethyl-[5-(5-methylthiophen-2-yl)thiophen-2-yl]stannane
CID 158184278
1,4-bis[5-(5-bromo-4-dodecylthiophen-2-yl)thiophen-2-yl]-2,5-bis(2-hexyldecyl)pyrrolo[3,4-c]pyrrole-3,6-dione;1,4-bis[5-(4-dodecyl-5-methylthiophen-2-yl)thiophen-2-yl]-2,5-bis(2-hexyldecyl)pyrrolo[3,4-c]pyrrole-3,6-dione
CID 158607464
4-[4-dodecyl-5-(3-dodecyl-5-methylthiophen-2-yl)thiophen-2-yl]-1-methylthieno[3,4-c]thiophene-3,6-dione
CID 130313583
2,5-bis(2-decyltetradecyl)-4-[5-[5-(3-fluoro-4-thiophen-2-ylphenyl)thiophen-2-yl]thiophen-2-yl]-1-thiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione
CID 122364529

Frequently Asked Questions

What is the IUPAC name of 4-[5-[6-[4-(2-decoxyethyl)-5-methylthiophen-2-yl]naphthalen-2-yl]-3-propylthiophen-2-yl]-1-methylfuro[3,4-c]furan-3,6-dione;(3E)-1-(7-decylnonadecyl)-3-[1-(7-decylnonadecyl)-6-[5-[(E)-2-(5-methylselenophen-2-yl)ethenyl]selenophen-2-yl]-2-oxoindol-3-ylidene]-6-methylindol-2-one;(6E)-2-methyl-6-[2-(6-methylnaphthalen-2-yl)-4-(2-octyldodecyl)-5-oxothieno[3,2-b]pyrrol-6-ylidene]-4-(2-octyldodecyl)thieno[3,2-b]pyrrol-5-one;1-methyl-4-[5-[10-(5-methyl-3-propylthiophen-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-(2-octoxyethyl)thiophen-2-yl]thieno[3,4-c]thiophene-3,6-dione;1-methyl-4-[5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thiophen-2-yl]-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-3,6-dione?
The IUPAC name of 4-[5-[6-[4-(2-decoxyethyl)-5-methylthiophen-2-yl]naphthalen-2-yl]-3-propylthiophen-2-yl]-1-methylfuro[3,4-c]furan-3,6-dione;(3E)-1-(7-decylnonadecyl)-3-[1-(7-decylnonadecyl)-6-[5-[(E)-2-(5-methylselenophen-2-yl)ethenyl]selenophen-2-yl]-2-oxoindol-3-ylidene]-6-methylindol-2-one;(6E)-2-methyl-6-[2-(6-methylnaphthalen-2-yl)-4-(2-octyldodecyl)-5-oxothieno[3,2-b]pyrrol-6-ylidene]-4-(2-octyldodecyl)thieno[3,2-b]pyrrol-5-one;1-methyl-4-[5-[10-(5-methyl-3-propylthiophen-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-(2-octoxyethyl)thiophen-2-yl]thieno[3,4-c]thiophene-3,6-dione;1-methyl-4-[5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thiophen-2-yl]-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-3,6-dione (CID 158526394) is 4-[5-[6-[4-(2-decoxyethyl)-5-methylthiophen-2-yl]naphthalen-2-yl]-3-propylthiophen-2-yl]-1-methylfuro[3,4-c]furan-3,6-dione;(3E)-1-(7-decylnonadecyl)-3-[1-(7-decylnonadecyl)-6-[5-[(E)-2-(5-methylselenophen-2-yl)ethenyl]selenophen-2-yl]-2-oxoindol-3-ylidene]-6-methylindol-2-one;(6E)-2-methyl-6-[2-(6-methylnaphthalen-2-yl)-4-(2-octyldodecyl)-5-oxothieno[3,2-b]pyrrol-6-ylidene]-4-(2-octyldodecyl)thieno[3,2-b]pyrrol-5-one;1-methyl-4-[5-[10-(5-methyl-3-propylthiophen-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-(2-octoxyethyl)thiophen-2-yl]thieno[3,4-c]thiophene-3,6-dione;1-methyl-4-[5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thiophen-2-yl]-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-3,6-dione.
What is the SMILES notation for 4-[5-[6-[4-(2-decoxyethyl)-5-methylthiophen-2-yl]naphthalen-2-yl]-3-propylthiophen-2-yl]-1-methylfuro[3,4-c]furan-3,6-dione;(3E)-1-(7-decylnonadecyl)-3-[1-(7-decylnonadecyl)-6-[5-[(E)-2-(5-methylselenophen-2-yl)ethenyl]selenophen-2-yl]-2-oxoindol-3-ylidene]-6-methylindol-2-one;(6E)-2-methyl-6-[2-(6-methylnaphthalen-2-yl)-4-(2-octyldodecyl)-5-oxothieno[3,2-b]pyrrol-6-ylidene]-4-(2-octyldodecyl)thieno[3,2-b]pyrrol-5-one;1-methyl-4-[5-[10-(5-methyl-3-propylthiophen-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-(2-octoxyethyl)thiophen-2-yl]thieno[3,4-c]thiophene-3,6-dione;1-methyl-4-[5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thiophen-2-yl]-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-3,6-dione?
The canonical SMILES for 4-[5-[6-[4-(2-decoxyethyl)-5-methylthiophen-2-yl]naphthalen-2-yl]-3-propylthiophen-2-yl]-1-methylfuro[3,4-c]furan-3,6-dione;(3E)-1-(7-decylnonadecyl)-3-[1-(7-decylnonadecyl)-6-[5-[(E)-2-(5-methylselenophen-2-yl)ethenyl]selenophen-2-yl]-2-oxoindol-3-ylidene]-6-methylindol-2-one;(6E)-2-methyl-6-[2-(6-methylnaphthalen-2-yl)-4-(2-octyldodecyl)-5-oxothieno[3,2-b]pyrrol-6-ylidene]-4-(2-octyldodecyl)thieno[3,2-b]pyrrol-5-one;1-methyl-4-[5-[10-(5-methyl-3-propylthiophen-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-(2-octoxyethyl)thiophen-2-yl]thieno[3,4-c]thiophene-3,6-dione;1-methyl-4-[5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thiophen-2-yl]-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-3,6-dione is CCCCCCCCCCC(CCCCCCCC)CN1C(=O)/C(=C2/C(=O)N(CC(CCCCCCCC)CCCCCCCCCC)c3cc(-c4ccc5cc(C)ccc5c4)sc32)c2sc(C)cc21.CCCCCCCCCCC(CCCCCCCC)CN1C(=O)C2=C(c3ccc(-c4ccc(/C=C/c5ccc(-c6ccc(C)s6)s5)s4)s3)N(CC(CCCCCCCC)CCCCCCCCCC)C(=O)C2=C1C.CCCCCCCCCCCCC(CCCCCCCCCC)CCCCCCN1C(=O)/C(=C2/C(=O)N(CCCCCCC(CCCCCCCCCC)CCCCCCCCCCCC)c3cc(-c4ccc(/C=C/c5ccc(C)[se]5)[se]4)ccc32)c2ccc(C)cc21.CCCCCCCCCCOCCc1cc(-c2ccc3cc(-c4cc(CCC)c(C5=C6C(=O)OC(C)=C6C(=O)O5)s4)ccc3c2)sc1C.CCCCCCCCOCCc1cc(C2=C3C(=O)SC(C)=C3C(=O)S2)sc1-c1cc2sc3cc(-c4sc(C)cc4CCC)sc3c2s1.
What is the InChIKey of 4-[5-[6-[4-(2-decoxyethyl)-5-methylthiophen-2-yl]naphthalen-2-yl]-3-propylthiophen-2-yl]-1-methylfuro[3,4-c]furan-3,6-dione;(3E)-1-(7-decylnonadecyl)-3-[1-(7-decylnonadecyl)-6-[5-[(E)-2-(5-methylselenophen-2-yl)ethenyl]selenophen-2-yl]-2-oxoindol-3-ylidene]-6-methylindol-2-one;(6E)-2-methyl-6-[2-(6-methylnaphthalen-2-yl)-4-(2-octyldodecyl)-5-oxothieno[3,2-b]pyrrol-6-ylidene]-4-(2-octyldodecyl)thieno[3,2-b]pyrrol-5-one;1-methyl-4-[5-[10-(5-methyl-3-propylthiophen-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-(2-octoxyethyl)thiophen-2-yl]thieno[3,4-c]thiophene-3,6-dione;1-methyl-4-[5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thiophen-2-yl]-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-3,6-dione?
The InChIKey is HMVJYAQCKZBGJD-ZDBKZPGTSA-N. The full InChI is InChI=1S/C86H136N2O2Se2.C66H98N2O2S4.C64H96N2O2S2.C41H46O5S2.C37H38O3S7/c1-7-11-15-19-23-27-29-33-37-45-53-73(51-43-35-31-25-21-17-13-9-3)55-47-39-41-49-67-87-80-69-71(5)57-64-78(80)83(85(87)89)84-79-65-59-75(82-66-63-77(92-82)62-61-76-60-58-72(6)91-76)70-81(79)88(86(84)90)68-50-42-40-48-56-74(52-44-36-32-26-22-18-14-10-4)54-46-38-34-30-28-24-20-16-12-8-2;1-7-11-15-19-23-25-29-33-36-53(35-31-27-21-17-13-9-3)49-67-52(6)62-63(66(67)70)64(68(65(62)69)50-54(37-32-28-22-18-14-10-4)38-34-30-26-24-20-16-12-8-2)61-48-47-60(74-61)59-46-43-56(73-59)41-40-55-42-45-58(72-55)57-44-39-51(5)71-57;1-7-11-15-19-23-25-29-33-37-51(35-31-27-21-17-13-9-3)47-65-56-44-50(6)69-61(56)59(63(65)67)60-62-57(46-58(70-62)55-42-41-53-43-49(5)39-40-54(53)45-55)66(64(60)68)48-52(36-32-28-22-18-14-10-4)38-34-30-26-24-20-16-12-8-2;1-5-7-8-9-10-11-12-13-20-44-21-19-28-24-34(47-27(28)4)31-17-15-30-23-32(18-16-29(30)22-31)35-25-33(14-6-2)39(48-35)38-37-36(40(42)46-38)26(3)45-41(37)43;1-5-7-8-9-10-11-14-40-15-13-23-17-24(33-30-29(36(38)47-33)21(4)42-37(30)39)44-32(23)26-19-28-35(46-26)34-27(43-28)18-25(45-34)31-22(12-6-2)16-20(3)41-31/h57-66,69-70,73-74H,7-56,67-68H2,1-6H3;39-48,53-54H,7-38,49-50H2,1-6H3;39-46,51-52H,7-38,47-48H2,1-6H3;15-18,22-25H,5-14,19-21H2,1-4H3;16-19H,5-15H2,1-4H3/b62-61+,84-83+;41-40+;60-59+;;.
What are the key properties of 4-[5-[6-[4-(2-decoxyethyl)-5-methylthiophen-2-yl]naphthalen-2-yl]-3-propylthiophen-2-yl]-1-methylfuro[3,4-c]furan-3,6-dione;(3E)-1-(7-decylnonadecyl)-3-[1-(7-decylnonadecyl)-6-[5-[(E)-2-(5-methylselenophen-2-yl)ethenyl]selenophen-2-yl]-2-oxoindol-3-ylidene]-6-methylindol-2-one;(6E)-2-methyl-6-[2-(6-methylnaphthalen-2-yl)-4-(2-octyldodecyl)-5-oxothieno[3,2-b]pyrrol-6-ylidene]-4-(2-octyldodecyl)thieno[3,2-b]pyrrol-5-one;1-methyl-4-[5-[10-(5-methyl-3-propylthiophen-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-(2-octoxyethyl)thiophen-2-yl]thieno[3,4-c]thiophene-3,6-dione;1-methyl-4-[5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thiophen-2-yl]-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-3,6-dione?
4-[5-[6-[4-(2-decoxyethyl)-5-methylthiophen-2-yl]naphthalen-2-yl]-3-propylthiophen-2-yl]-1-methylfuro[3,4-c]furan-3,6-dione;(3E)-1-(7-decylnonadecyl)-3-[1-(7-decylnonadecyl)-6-[5-[(E)-2-(5-methylselenophen-2-yl)ethenyl]selenophen-2-yl]-2-oxoindol-3-ylidene]-6-methylindol-2-one;(6E)-2-methyl-6-[2-(6-methylnaphthalen-2-yl)-4-(2-octyldodecyl)-5-oxothieno[3,2-b]pyrrol-6-ylidene]-4-(2-octyldodecyl)thieno[3,2-b]pyrrol-5-one;1-methyl-4-[5-[10-(5-methyl-3-propylthiophen-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-(2-octoxyethyl)thiophen-2-yl]thieno[3,4-c]thiophene-3,6-dione;1-methyl-4-[5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thiophen-2-yl]-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-3,6-dione has a molecular weight of 4895.50 g/mol, XLogP of 94.23, 167 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[6-[4-(2-decoxyethyl)-5-methylthiophen-2-yl]naphthalen-2-yl]-3-propylthiophen-2-yl]-1-methylfuro[3,4-c]furan-3,6-dione;(3E)-1-(7-decylnonadecyl)-3-[1-(7-decylnonadecyl)-6-[5-[(E)-2-(5-methylselenophen-2-yl)ethenyl]selenophen-2-yl]-2-oxoindol-3-ylidene]-6-methylindol-2-one;(6E)-2-methyl-6-[2-(6-methylnaphthalen-2-yl)-4-(2-octyldodecyl)-5-oxothieno[3,2-b]pyrrol-6-ylidene]-4-(2-octyldodecyl)thieno[3,2-b]pyrrol-5-one;1-methyl-4-[5-[10-(5-methyl-3-propylthiophen-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-(2-octoxyethyl)thiophen-2-yl]thieno[3,4-c]thiophene-3,6-dione;1-methyl-4-[5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thiophen-2-yl]-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-3,6-dione is sourced from PubChem (CID 158526394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).