(3E)-1-(5-decylheptadecyl)-3-[1-(5-decylheptadecyl)-6-(5-methylthiophen-2-yl)-2-oxoindol-3-ylidene]-6-(5-methylthiophen-2-yl)indol-2-one;(3E)-1-(5-decylheptadecyl)-3-[1-(5-decylheptadecyl)-6-(5-methylthiophen-2-yl)-2-oxopyrrolo[3,2-c]pyridin-3-ylidene]-6-(5-methylthiophen-2-yl)pyrrolo[3,2-c]pyridin-2-one;(6E)-4-(2-decyltetradecyl)-6-[4-(2-decyltetradecyl)-2-methyl-5-oxothieno[3,2-b]pyrrol-6-ylidene]-2-methylthieno[3,2-b]pyrrol-5-one;5,18-dithia-27-selena-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),2,4(8),6,11,13,15,17(21),19,24-decaene-10,23-dione;7,27-dithia-18-selena-3,9,16,22-tetrazaoctacyclo[22.2.1.03,10.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),4(8),5,9,11,13,15,17(21),19,24-decaene-2,23-dione;ethane;27-thia-5,18-diselena-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),2,4(8),6,11,13,15,17(21),19,24-decaene-10,23-dione

C286H392N20O12S11Se4 — CID 157117262

IUPAC(3E)-1-(5-decylheptadecyl)-3-[1-(5-decylheptadecyl)-6-(5-methylthiophen-2-yl)-2-oxoindol-3-ylidene]-6-(5-methylthiophen-2-yl)indol-2-one;(3E)-1-(5-decylheptadecyl)-3-[1-(5-decylheptadecyl)-6-(5-methylthiophen-2-yl)-2-oxopyrrolo[3,2-c]pyridin-3-ylidene]-6-(5-methylthiophen-2-yl)pyrrolo[3,2-c]pyridin-2-one;(6E)-4-(2-decyltetradecyl)-6-[4-(2-decyltetradecyl)-2-methyl-5-oxothieno[3,2-b]pyrrol-6-ylidene]-2-methylthieno[3,2-b]pyrrol-5-one;5,18-dithia-27-selena-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),2,4(8),6,11,13,15,17(21),19,24-decaene-10,23-dione;7,27-dithia-18-selena-3,9,16,22-tetrazaoctacyclo[22.2.1.03,10.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),4(8),5,9,11,13,15,17(21),19,24-decaene-2,23-dione;ethane;27-thia-5,18-diselena-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),2,4(8),6,11,13,15,17(21),19,24-decaene-10,23-dione
SMILESCC.CC.CC.CCCCCCCCCCCCC(CCCCCCCCCC)CCCCN1C(=O)/C(=C2/C(=O)N(CCCCC(CCCCCCCCCC)CCCCCCCCCCCC)c3cc(-c4ccc(C)s4)ccc32)c2ccc(-c3ccc(C)s3)cc21.CCCCCCCCCCCCC(CCCCCCCCCC)CCCCN1C(=O)/C(=C2/C(=O)N(CCCCC(CCCCCCCCCC)CCCCCCCCCCCC)c3cc(-c4ccc(C)s4)ncc32)c2cnc(-c3ccc(C)s3)cc21.CCCCCCCCCCCCC(CCCCCCCCCC)CN1C(=O)/C(=C2/C(=O)N(CC(CCCCCCCCCC)CCCCCCCCCCCC)c3cc(C)sc32)c2sc(C)cc21.O=c1c2[se]c3c4c(ccc(c24)c2nc4sccc4n12)c(=O)n1c2ccsc2nc31.O=c1c2sc3c(=O)n4c5cc[se]c5nc4c4ccc(c2c34)c2nc3sccc3n12.O=c1c2sc3c4c(ccc(c24)c2nc4[se]ccc4n12)c(=O)n1c2cc[se]c2nc31
InChIInChI=1S/C80H126N2O2S2.C78H124N4O2S2.C62H106N2O2S2.2C20H6N4O2S2Se.C20H6N4O2SSe2.3C2H6/c1-7-11-15-19-23-27-29-33-37-41-49-67(47-39-35-31-25-21-17-13-9-3)51-43-45-61-81-73-63-69(75-59-53-65(5)85-75)55-57-71(73)77(79(81)83)78-72-58-56-70(76-60-54-66(6)86-76)64-74(72)82(80(78)84)62-46-44-52-68(48-40-36-32-26-22-18-14-10-4)50-42-38-34-30-28-24-20-16-12-8-2;1-7-11-15-19-23-27-29-33-37-41-49-65(47-39-35-31-25-21-17-13-9-3)51-43-45-57-81-71-59-69(73-55-53-63(5)85-73)79-61-67(71)75(77(81)83)76-68-62-80-70(74-56-54-64(6)86-74)60-72(68)82(78(76)84)58-46-44-52-66(48-40-36-32-26-22-18-14-10-4)50-42-38-34-30-28-24-20-16-12-8-2;1-7-11-15-19-23-27-29-33-37-41-45-53(43-39-35-31-25-21-17-13-9-3)49-63-55-47-51(5)67-59(55)57(61(63)65)58-60-56(48-52(6)68-60)64(62(58)66)50-54(44-40-36-32-26-22-18-14-10-4)46-42-38-34-30-28-24-20-16-12-8-2;25-19-8-2-1-7-11-12(8)13(16-22-18-10(24(16)19)4-6-28-18)29-14(11)20(26)23-9-3-5-27-17(9)21-15(7)23;25-19-13-11-7(15-21-17-9(23(15)19)3-5-27-17)1-2-8-12(11)14(28-13)20(26)24-10-4-6-29-18(10)22-16(8)24;25-19-8-2-1-7-11-12(8)13(16-22-18-10(24(16)19)4-6-29-18)27-14(11)20(26)23-9-3-5-28-17(9)21-15(7)23;3*1-2/h53-60,63-64,67-68H,7-52,61-62H2,1-6H3;53-56,59-62,65-66H,7-52,57-58H2,1-6H3;47-48,53-54H,7-46,49-50H2,1-6H3;3*1-6H;3*1-2H3/b78-77+;76-75+;58-57+;;;;;;
InChIKeyAHNZVDSZBFVDRF-ZTTLAWABSA-N
MW4970.99 g/mol
LogP85.62
Rot. Bonds148

About (3E)-1-(5-decylheptadecyl)-3-[1-(5-decylheptadecyl)-6-(5-methylthiophen-2-yl)-2-oxoindol-3-ylidene]-6-(5-methylthiophen-2-yl)indol-2-one;(3E)-1-(5-decylheptadecyl)-3-[1-(5-decylheptadecyl)-6-(5-methylthiophen-2-yl)-2-oxopyrrolo[3,2-c]pyridin-3-ylidene]-6-(5-methylthiophen-2-yl)pyrrolo[3,2-c]pyridin-2-one;(6E)-4-(2-decyltetradecyl)-6-[4-(2-decyltetradecyl)-2-methyl-5-oxothieno[3,2-b]pyrrol-6-ylidene]-2-methylthieno[3,2-b]pyrrol-5-one;5,18-dithia-27-selena-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),2,4(8),6,11,13,15,17(21),19,24-decaene-10,23-dione;7,27-dithia-18-selena-3,9,16,22-tetrazaoctacyclo[22.2.1.03,10.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),4(8),5,9,11,13,15,17(21),19,24-decaene-2,23-dione;ethane;27-thia-5,18-diselena-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),2,4(8),6,11,13,15,17(21),19,24-decaene-10,23-dione

(3E)-1-(5-decylheptadecyl)-3-[1-(5-decylheptadecyl)-6-(5-methylthiophen-2-yl)-2-oxoindol-3-ylidene]-6-(5-methylthiophen-2-yl)indol-2-one;(3E)-1-(5-decylheptadecyl)-3-[1-(5-decylheptadecyl)-6-(5-methylthiophen-2-yl)-2-oxopyrrolo[3,2-c]pyridin-3-ylidene]-6-(5-methylthiophen-2-yl)pyrrolo[3,2-c]pyridin-2-one;(6E)-4-(2-decyltetradecyl)-6-[4-(2-decyltetradecyl)-2-methyl-5-oxothieno[3,2-b]pyrrol-6-ylidene]-2-methylthieno[3,2-b]pyrrol-5-one;5,18-dithia-27-selena-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),2,4(8),6,11,13,15,17(21),19,24-decaene-10,23-dione;7,27-dithia-18-selena-3,9,16,22-tetrazaoctacyclo[22.2.1.03,10.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),4(8),5,9,11,13,15,17(21),19,24-decaene-2,23-dione;ethane;27-thia-5,18-diselena-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),2,4(8),6,11,13,15,17(21),19,24-decaene-10,23-dione (PubChem CID 157117262) has the molecular formula C286H392N20O12S11Se4 and a molecular weight of 4970.99 g/mol. Its IUPAC name is (3E)-1-(5-decylheptadecyl)-3-[1-(5-decylheptadecyl)-6-(5-methylthiophen-2-yl)-2-oxoindol-3-ylidene]-6-(5-methylthiophen-2-yl)indol-2-one;(3E)-1-(5-decylheptadecyl)-3-[1-(5-decylheptadecyl)-6-(5-methylthiophen-2-yl)-2-oxopyrrolo[3,2-c]pyridin-3-ylidene]-6-(5-methylthiophen-2-yl)pyrrolo[3,2-c]pyridin-2-one;(6E)-4-(2-decyltetradecyl)-6-[4-(2-decyltetradecyl)-2-methyl-5-oxothieno[3,2-b]pyrrol-6-ylidene]-2-methylthieno[3,2-b]pyrrol-5-one;5,18-dithia-27-selena-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),2,4(8),6,11,13,15,17(21),19,24-decaene-10,23-dione;7,27-dithia-18-selena-3,9,16,22-tetrazaoctacyclo[22.2.1.03,10.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),4(8),5,9,11,13,15,17(21),19,24-decaene-2,23-dione;ethane;27-thia-5,18-diselena-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),2,4(8),6,11,13,15,17(21),19,24-decaene-10,23-dione.

Molecular Properties

Compound Name(3E)-1-(5-decylheptadecyl)-3-[1-(5-decylheptadecyl)-6-(5-methylthiophen-2-yl)-2-oxoindol-3-ylidene]-6-(5-methylthiophen-2-yl)indol-2-one;(3E)-1-(5-decylheptadecyl)-3-[1-(5-decylheptadecyl)-6-(5-methylthiophen-2-yl)-2-oxopyrrolo[3,2-c]pyridin-3-ylidene]-6-(5-methylthiophen-2-yl)pyrrolo[3,2-c]pyridin-2-one;(6E)-4-(2-decyltetradecyl)-6-[4-(2-decyltetradecyl)-2-methyl-5-oxothieno[3,2-b]pyrrol-6-ylidene]-2-methylthieno[3,2-b]pyrrol-5-one;5,18-dithia-27-selena-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),2,4(8),6,11,13,15,17(21),19,24-decaene-10,23-dione;7,27-dithia-18-selena-3,9,16,22-tetrazaoctacyclo[22.2.1.03,10.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),4(8),5,9,11,13,15,17(21),19,24-decaene-2,23-dione;ethane;27-thia-5,18-diselena-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),2,4(8),6,11,13,15,17(21),19,24-decaene-10,23-dione
PubChem CID157117262
Molecular FormulaC286H392N20O12S11Se4
Molecular Weight4970.99 g/mol
Exact Mass4970.43
IUPAC Name(3E)-1-(5-decylheptadecyl)-3-[1-(5-decylheptadecyl)-6-(5-methylthiophen-2-yl)-2-oxoindol-3-ylidene]-6-(5-methylthiophen-2-yl)indol-2-one;(3E)-1-(5-decylheptadecyl)-3-[1-(5-decylheptadecyl)-6-(5-methylthiophen-2-yl)-2-oxopyrrolo[3,2-c]pyridin-3-ylidene]-6-(5-methylthiophen-2-yl)pyrrolo[3,2-c]pyridin-2-one;(6E)-4-(2-decyltetradecyl)-6-[4-(2-decyltetradecyl)-2-methyl-5-oxothieno[3,2-b]pyrrol-6-ylidene]-2-methylthieno[3,2-b]pyrrol-5-one;5,18-dithia-27-selena-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),2,4(8),6,11,13,15,17(21),19,24-decaene-10,23-dione;7,27-dithia-18-selena-3,9,16,22-tetrazaoctacyclo[22.2.1.03,10.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),4(8),5,9,11,13,15,17(21),19,24-decaene-2,23-dione;ethane;27-thia-5,18-diselena-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),2,4(8),6,11,13,15,17(21),19,24-decaene-10,23-dione
SMILESCC.CC.CC.CCCCCCCCCCCCC(CCCCCCCCCC)CCCCN1C(=O)/C(=C2/C(=O)N(CCCCC(CCCCCCCCCC)CCCCCCCCCCCC)c3cc(-c4ccc(C)s4)ccc32)c2ccc(-c3ccc(C)s3)cc21.CCCCCCCCCCCCC(CCCCCCCCCC)CCCCN1C(=O)/C(=C2/C(=O)N(CCCCC(CCCCCCCCCC)CCCCCCCCCCCC)c3cc(-c4ccc(C)s4)ncc32)c2cnc(-c3ccc(C)s3)cc21.CCCCCCCCCCCCC(CCCCCCCCCC)CN1C(=O)/C(=C2/C(=O)N(CC(CCCCCCCCCC)CCCCCCCCCCCC)c3cc(C)sc32)c2sc(C)cc21.O=c1c2[se]c3c4c(ccc(c24)c2nc4sccc4n12)c(=O)n1c2ccsc2nc31.O=c1c2sc3c(=O)n4c5cc[se]c5nc4c4ccc(c2c34)c2nc3sccc3n12.O=c1c2sc3c4c(ccc(c24)c2nc4[se]ccc4n12)c(=O)n1c2cc[se]c2nc31
InChIInChI=1S/C80H126N2O2S2.C78H124N4O2S2.C62H106N2O2S2.2C20H6N4O2S2Se.C20H6N4O2SSe2.3C2H6/c1-7-11-15-19-23-27-29-33-37-41-49-67(47-39-35-31-25-21-17-13-9-3)51-43-45-61-81-73-63-69(75-59-53-65(5)85-75)55-57-71(73)77(79(81)83)78-72-58-56-70(76-60-54-66(6)86-76)64-74(72)82(80(78)84)62-46-44-52-68(48-40-36-32-26-22-18-14-10-4)50-42-38-34-30-28-24-20-16-12-8-2;1-7-11-15-19-23-27-29-33-37-41-49-65(47-39-35-31-25-21-17-13-9-3)51-43-45-57-81-71-59-69(73-55-53-63(5)85-73)79-61-67(71)75(77(81)83)76-68-62-80-70(74-56-54-64(6)86-74)60-72(68)82(78(76)84)58-46-44-52-66(48-40-36-32-26-22-18-14-10-4)50-42-38-34-30-28-24-20-16-12-8-2;1-7-11-15-19-23-27-29-33-37-41-45-53(43-39-35-31-25-21-17-13-9-3)49-63-55-47-51(5)67-59(55)57(61(63)65)58-60-56(48-52(6)68-60)64(62(58)66)50-54(44-40-36-32-26-22-18-14-10-4)46-42-38-34-30-28-24-20-16-12-8-2;25-19-8-2-1-7-11-12(8)13(16-22-18-10(24(16)19)4-6-28-18)29-14(11)20(26)23-9-3-5-27-17(9)21-15(7)23;25-19-13-11-7(15-21-17-9(23(15)19)3-5-27-17)1-2-8-12(11)14(28-13)20(26)24-10-4-6-29-18(10)22-16(8)24;25-19-8-2-1-7-11-12(8)13(16-22-18-10(24(16)19)4-6-29-18)27-14(11)20(26)23-9-3-5-28-17(9)21-15(7)23;3*1-2/h53-60,63-64,67-68H,7-52,61-62H2,1-6H3;53-56,59-62,65-66H,7-52,57-58H2,1-6H3;47-48,53-54H,7-46,49-50H2,1-6H3;3*1-6H;3*1-2H3/b78-77+;76-75+;58-57+;;;;;;
InChIKeyAHNZVDSZBFVDRF-ZTTLAWABSA-N
XLogP85.62
TPSA353.86 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds148
Heavy Atoms333
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004970.99
LogP ≤ 585.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Analyze (3E)-1-(5-decylheptadecyl)-3-[1-(5-decylheptadecyl)-6-(5-methylthiophen-2-yl)-2-oxoindol-3-ylidene]-6-(5-methylthiophen-2-yl)indol-2-one;(3E)-1-(5-decylheptadecyl)-3-[1-(5-decylheptadecyl)-6-(5-methylthiophen-2-yl)-2-oxopyrrolo[3,2-c]pyridin-3-ylidene]-6-(5-methylthiophen-2-yl)pyrrolo[3,2-c]pyridin-2-one;(6E)-4-(2-decyltetradecyl)-6-[4-(2-decyltetradecyl)-2-methyl-5-oxothieno[3,2-b]pyrrol-6-ylidene]-2-methylthieno[3,2-b]pyrrol-5-one;5,18-dithia-27-selena-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),2,4(8),6,11,13,15,17(21),19,24-decaene-10,23-dione;7,27-dithia-18-selena-3,9,16,22-tetrazaoctacyclo[22.2.1.03,10.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),4(8),5,9,11,13,15,17(21),19,24-decaene-2,23-dione;ethane;27-thia-5,18-diselena-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),2,4(8),6,11,13,15,17(21),19,24-decaene-10,23-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E)-1-(5-decylheptadecyl)-3-[1-(5-decylheptadecyl)-6-(5-methylthiophen-2-yl)-2-oxoindol-3-ylidene]-6-(5-methylthiophen-2-yl)indol-2-one;(3E)-1-(5-decylheptadecyl)-3-[1-(5-decylheptadecyl)-6-(5-methylthiophen-2-yl)-2-oxopyrrolo[3,2-c]pyridin-3-ylidene]-6-(5-methylthiophen-2-yl)pyrrolo[3,2-c]pyridin-2-one;(6E)-4-(2-decyltetradecyl)-6-[4-(2-decyltetradecyl)-2-methyl-5-oxothieno[3,2-b]pyrrol-6-ylidene]-2-methylthieno[3,2-b]pyrrol-5-one;5,18-dithia-27-selena-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),2,4(8),6,11,13,15,17(21),19,24-decaene-10,23-dione;7,27-dithia-18-selena-3,9,16,22-tetrazaoctacyclo[22.2.1.03,10.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),4(8),5,9,11,13,15,17(21),19,24-decaene-2,23-dione;ethane;27-thia-5,18-diselena-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),2,4(8),6,11,13,15,17(21),19,24-decaene-10,23-dione?
The IUPAC name of (3E)-1-(5-decylheptadecyl)-3-[1-(5-decylheptadecyl)-6-(5-methylthiophen-2-yl)-2-oxoindol-3-ylidene]-6-(5-methylthiophen-2-yl)indol-2-one;(3E)-1-(5-decylheptadecyl)-3-[1-(5-decylheptadecyl)-6-(5-methylthiophen-2-yl)-2-oxopyrrolo[3,2-c]pyridin-3-ylidene]-6-(5-methylthiophen-2-yl)pyrrolo[3,2-c]pyridin-2-one;(6E)-4-(2-decyltetradecyl)-6-[4-(2-decyltetradecyl)-2-methyl-5-oxothieno[3,2-b]pyrrol-6-ylidene]-2-methylthieno[3,2-b]pyrrol-5-one;5,18-dithia-27-selena-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),2,4(8),6,11,13,15,17(21),19,24-decaene-10,23-dione;7,27-dithia-18-selena-3,9,16,22-tetrazaoctacyclo[22.2.1.03,10.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),4(8),5,9,11,13,15,17(21),19,24-decaene-2,23-dione;ethane;27-thia-5,18-diselena-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),2,4(8),6,11,13,15,17(21),19,24-decaene-10,23-dione (CID 157117262) is (3E)-1-(5-decylheptadecyl)-3-[1-(5-decylheptadecyl)-6-(5-methylthiophen-2-yl)-2-oxoindol-3-ylidene]-6-(5-methylthiophen-2-yl)indol-2-one;(3E)-1-(5-decylheptadecyl)-3-[1-(5-decylheptadecyl)-6-(5-methylthiophen-2-yl)-2-oxopyrrolo[3,2-c]pyridin-3-ylidene]-6-(5-methylthiophen-2-yl)pyrrolo[3,2-c]pyridin-2-one;(6E)-4-(2-decyltetradecyl)-6-[4-(2-decyltetradecyl)-2-methyl-5-oxothieno[3,2-b]pyrrol-6-ylidene]-2-methylthieno[3,2-b]pyrrol-5-one;5,18-dithia-27-selena-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),2,4(8),6,11,13,15,17(21),19,24-decaene-10,23-dione;7,27-dithia-18-selena-3,9,16,22-tetrazaoctacyclo[22.2.1.03,10.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),4(8),5,9,11,13,15,17(21),19,24-decaene-2,23-dione;ethane;27-thia-5,18-diselena-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),2,4(8),6,11,13,15,17(21),19,24-decaene-10,23-dione.
What is the SMILES notation for (3E)-1-(5-decylheptadecyl)-3-[1-(5-decylheptadecyl)-6-(5-methylthiophen-2-yl)-2-oxoindol-3-ylidene]-6-(5-methylthiophen-2-yl)indol-2-one;(3E)-1-(5-decylheptadecyl)-3-[1-(5-decylheptadecyl)-6-(5-methylthiophen-2-yl)-2-oxopyrrolo[3,2-c]pyridin-3-ylidene]-6-(5-methylthiophen-2-yl)pyrrolo[3,2-c]pyridin-2-one;(6E)-4-(2-decyltetradecyl)-6-[4-(2-decyltetradecyl)-2-methyl-5-oxothieno[3,2-b]pyrrol-6-ylidene]-2-methylthieno[3,2-b]pyrrol-5-one;5,18-dithia-27-selena-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),2,4(8),6,11,13,15,17(21),19,24-decaene-10,23-dione;7,27-dithia-18-selena-3,9,16,22-tetrazaoctacyclo[22.2.1.03,10.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),4(8),5,9,11,13,15,17(21),19,24-decaene-2,23-dione;ethane;27-thia-5,18-diselena-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),2,4(8),6,11,13,15,17(21),19,24-decaene-10,23-dione?
The canonical SMILES for (3E)-1-(5-decylheptadecyl)-3-[1-(5-decylheptadecyl)-6-(5-methylthiophen-2-yl)-2-oxoindol-3-ylidene]-6-(5-methylthiophen-2-yl)indol-2-one;(3E)-1-(5-decylheptadecyl)-3-[1-(5-decylheptadecyl)-6-(5-methylthiophen-2-yl)-2-oxopyrrolo[3,2-c]pyridin-3-ylidene]-6-(5-methylthiophen-2-yl)pyrrolo[3,2-c]pyridin-2-one;(6E)-4-(2-decyltetradecyl)-6-[4-(2-decyltetradecyl)-2-methyl-5-oxothieno[3,2-b]pyrrol-6-ylidene]-2-methylthieno[3,2-b]pyrrol-5-one;5,18-dithia-27-selena-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),2,4(8),6,11,13,15,17(21),19,24-decaene-10,23-dione;7,27-dithia-18-selena-3,9,16,22-tetrazaoctacyclo[22.2.1.03,10.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),4(8),5,9,11,13,15,17(21),19,24-decaene-2,23-dione;ethane;27-thia-5,18-diselena-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),2,4(8),6,11,13,15,17(21),19,24-decaene-10,23-dione is CC.CC.CC.CCCCCCCCCCCCC(CCCCCCCCCC)CCCCN1C(=O)/C(=C2/C(=O)N(CCCCC(CCCCCCCCCC)CCCCCCCCCCCC)c3cc(-c4ccc(C)s4)ccc32)c2ccc(-c3ccc(C)s3)cc21.CCCCCCCCCCCCC(CCCCCCCCCC)CCCCN1C(=O)/C(=C2/C(=O)N(CCCCC(CCCCCCCCCC)CCCCCCCCCCCC)c3cc(-c4ccc(C)s4)ncc32)c2cnc(-c3ccc(C)s3)cc21.CCCCCCCCCCCCC(CCCCCCCCCC)CN1C(=O)/C(=C2/C(=O)N(CC(CCCCCCCCCC)CCCCCCCCCCCC)c3cc(C)sc32)c2sc(C)cc21.O=c1c2[se]c3c4c(ccc(c24)c2nc4sccc4n12)c(=O)n1c2ccsc2nc31.O=c1c2sc3c(=O)n4c5cc[se]c5nc4c4ccc(c2c34)c2nc3sccc3n12.O=c1c2sc3c4c(ccc(c24)c2nc4[se]ccc4n12)c(=O)n1c2cc[se]c2nc31.
What is the InChIKey of (3E)-1-(5-decylheptadecyl)-3-[1-(5-decylheptadecyl)-6-(5-methylthiophen-2-yl)-2-oxoindol-3-ylidene]-6-(5-methylthiophen-2-yl)indol-2-one;(3E)-1-(5-decylheptadecyl)-3-[1-(5-decylheptadecyl)-6-(5-methylthiophen-2-yl)-2-oxopyrrolo[3,2-c]pyridin-3-ylidene]-6-(5-methylthiophen-2-yl)pyrrolo[3,2-c]pyridin-2-one;(6E)-4-(2-decyltetradecyl)-6-[4-(2-decyltetradecyl)-2-methyl-5-oxothieno[3,2-b]pyrrol-6-ylidene]-2-methylthieno[3,2-b]pyrrol-5-one;5,18-dithia-27-selena-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),2,4(8),6,11,13,15,17(21),19,24-decaene-10,23-dione;7,27-dithia-18-selena-3,9,16,22-tetrazaoctacyclo[22.2.1.03,10.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),4(8),5,9,11,13,15,17(21),19,24-decaene-2,23-dione;ethane;27-thia-5,18-diselena-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),2,4(8),6,11,13,15,17(21),19,24-decaene-10,23-dione?
The InChIKey is AHNZVDSZBFVDRF-ZTTLAWABSA-N. The full InChI is InChI=1S/C80H126N2O2S2.C78H124N4O2S2.C62H106N2O2S2.2C20H6N4O2S2Se.C20H6N4O2SSe2.3C2H6/c1-7-11-15-19-23-27-29-33-37-41-49-67(47-39-35-31-25-21-17-13-9-3)51-43-45-61-81-73-63-69(75-59-53-65(5)85-75)55-57-71(73)77(79(81)83)78-72-58-56-70(76-60-54-66(6)86-76)64-74(72)82(80(78)84)62-46-44-52-68(48-40-36-32-26-22-18-14-10-4)50-42-38-34-30-28-24-20-16-12-8-2;1-7-11-15-19-23-27-29-33-37-41-49-65(47-39-35-31-25-21-17-13-9-3)51-43-45-57-81-71-59-69(73-55-53-63(5)85-73)79-61-67(71)75(77(81)83)76-68-62-80-70(74-56-54-64(6)86-74)60-72(68)82(78(76)84)58-46-44-52-66(48-40-36-32-26-22-18-14-10-4)50-42-38-34-30-28-24-20-16-12-8-2;1-7-11-15-19-23-27-29-33-37-41-45-53(43-39-35-31-25-21-17-13-9-3)49-63-55-47-51(5)67-59(55)57(61(63)65)58-60-56(48-52(6)68-60)64(62(58)66)50-54(44-40-36-32-26-22-18-14-10-4)46-42-38-34-30-28-24-20-16-12-8-2;25-19-8-2-1-7-11-12(8)13(16-22-18-10(24(16)19)4-6-28-18)29-14(11)20(26)23-9-3-5-27-17(9)21-15(7)23;25-19-13-11-7(15-21-17-9(23(15)19)3-5-27-17)1-2-8-12(11)14(28-13)20(26)24-10-4-6-29-18(10)22-16(8)24;25-19-8-2-1-7-11-12(8)13(16-22-18-10(24(16)19)4-6-29-18)27-14(11)20(26)23-9-3-5-28-17(9)21-15(7)23;3*1-2/h53-60,63-64,67-68H,7-52,61-62H2,1-6H3;53-56,59-62,65-66H,7-52,57-58H2,1-6H3;47-48,53-54H,7-46,49-50H2,1-6H3;3*1-6H;3*1-2H3/b78-77+;76-75+;58-57+;;;;;;.
What are the key properties of (3E)-1-(5-decylheptadecyl)-3-[1-(5-decylheptadecyl)-6-(5-methylthiophen-2-yl)-2-oxoindol-3-ylidene]-6-(5-methylthiophen-2-yl)indol-2-one;(3E)-1-(5-decylheptadecyl)-3-[1-(5-decylheptadecyl)-6-(5-methylthiophen-2-yl)-2-oxopyrrolo[3,2-c]pyridin-3-ylidene]-6-(5-methylthiophen-2-yl)pyrrolo[3,2-c]pyridin-2-one;(6E)-4-(2-decyltetradecyl)-6-[4-(2-decyltetradecyl)-2-methyl-5-oxothieno[3,2-b]pyrrol-6-ylidene]-2-methylthieno[3,2-b]pyrrol-5-one;5,18-dithia-27-selena-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),2,4(8),6,11,13,15,17(21),19,24-decaene-10,23-dione;7,27-dithia-18-selena-3,9,16,22-tetrazaoctacyclo[22.2.1.03,10.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),4(8),5,9,11,13,15,17(21),19,24-decaene-2,23-dione;ethane;27-thia-5,18-diselena-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),2,4(8),6,11,13,15,17(21),19,24-decaene-10,23-dione?
(3E)-1-(5-decylheptadecyl)-3-[1-(5-decylheptadecyl)-6-(5-methylthiophen-2-yl)-2-oxoindol-3-ylidene]-6-(5-methylthiophen-2-yl)indol-2-one;(3E)-1-(5-decylheptadecyl)-3-[1-(5-decylheptadecyl)-6-(5-methylthiophen-2-yl)-2-oxopyrrolo[3,2-c]pyridin-3-ylidene]-6-(5-methylthiophen-2-yl)pyrrolo[3,2-c]pyridin-2-one;(6E)-4-(2-decyltetradecyl)-6-[4-(2-decyltetradecyl)-2-methyl-5-oxothieno[3,2-b]pyrrol-6-ylidene]-2-methylthieno[3,2-b]pyrrol-5-one;5,18-dithia-27-selena-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),2,4(8),6,11,13,15,17(21),19,24-decaene-10,23-dione;7,27-dithia-18-selena-3,9,16,22-tetrazaoctacyclo[22.2.1.03,10.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),4(8),5,9,11,13,15,17(21),19,24-decaene-2,23-dione;ethane;27-thia-5,18-diselena-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),2,4(8),6,11,13,15,17(21),19,24-decaene-10,23-dione has a molecular weight of 4970.99 g/mol, XLogP of 85.62, 148 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-(5-decylheptadecyl)-3-[1-(5-decylheptadecyl)-6-(5-methylthiophen-2-yl)-2-oxoindol-3-ylidene]-6-(5-methylthiophen-2-yl)indol-2-one;(3E)-1-(5-decylheptadecyl)-3-[1-(5-decylheptadecyl)-6-(5-methylthiophen-2-yl)-2-oxopyrrolo[3,2-c]pyridin-3-ylidene]-6-(5-methylthiophen-2-yl)pyrrolo[3,2-c]pyridin-2-one;(6E)-4-(2-decyltetradecyl)-6-[4-(2-decyltetradecyl)-2-methyl-5-oxothieno[3,2-b]pyrrol-6-ylidene]-2-methylthieno[3,2-b]pyrrol-5-one;5,18-dithia-27-selena-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),2,4(8),6,11,13,15,17(21),19,24-decaene-10,23-dione;7,27-dithia-18-selena-3,9,16,22-tetrazaoctacyclo[22.2.1.03,10.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),4(8),5,9,11,13,15,17(21),19,24-decaene-2,23-dione;ethane;27-thia-5,18-diselena-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.015,22.017,21]heptacosa-1(26),2,4(8),6,11,13,15,17(21),19,24-decaene-10,23-dione is sourced from PubChem (CID 157117262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).