1,4-bis(5-methylthiophen-2-yl)-2,5-bis[2-(2-octyldodecoxy)ethyl]pyrrolo[3,4-c]pyrrole-3,6-dione;4,7-bis(5-methylthiophen-2-yl)-2-(2-octyldodecyl)pyrrolo[3,4-c]pyridine-1,3-dione;bis(12,13-dioctyl-5,18,27-trithia-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);12,13-dioctyl-5,20,27-trithia-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.016,23.017,21]heptacosa-1(26),2,4(8),6,11,13,17(21),18,22,24-decaene-10,15-dione;2-dodecyl-4,7-bis(5-methylthiophen-2-yl)isoindole-1,3-dione;ethane

C241H321N17O14S15 — CID 159680114

IUPAC1,4-bis(5-methylthiophen-2-yl)-2,5-bis[2-(2-octyldodecoxy)ethyl]pyrrolo[3,4-c]pyrrole-3,6-dione;4,7-bis(5-methylthiophen-2-yl)-2-(2-octyldodecyl)pyrrolo[3,4-c]pyridine-1,3-dione;bis(12,13-dioctyl-5,18,27-trithia-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);12,13-dioctyl-5,20,27-trithia-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.016,23.017,21]heptacosa-1(26),2,4(8),6,11,13,17(21),18,22,24-decaene-10,15-dione;2-dodecyl-4,7-bis(5-methylthiophen-2-yl)isoindole-1,3-dione;ethane
SMILESCC.CC.CC.CCCCCCCCCCC(CCCCCCCC)CN1C(=O)c2c(-c3ccc(C)s3)cnc(-c3ccc(C)s3)c2C1=O.CCCCCCCCCCC(CCCCCCCC)COCCN1C(=O)C2=C(c3ccc(C)s3)N(CCOCC(CCCCCCCC)CCCCCCCCCC)C(=O)C2=C1c1ccc(C)s1.CCCCCCCCCCCCN1C(=O)c2c(-c3ccc(C)s3)ccc(-c3ccc(C)s3)c2C1=O.CCCCCCCCc1c(CCCCCCCC)c2c(=O)n3c4ccsc4nc3c3sc4c(c1c(=O)n1c5ccsc5nc41)c23.CCCCCCCCc1c(CCCCCCCC)c2c3c(sc4c3c1c(=O)n1c3ccsc3nc41)c(=O)n1c3ccsc3nc21.CCCCCCCCc1c(CCCCCCCC)c2c3c(sc4c3c1c(=O)n1c3ccsc3nc41)c(=O)n1c3ccsc3nc21
InChIInChI=1S/C60H100N2O4S2.C37H52N2O2S2.3C36H38N4O2S3.C30H37NO2S2.3C2H6/c1-7-11-15-19-23-25-29-33-37-51(35-31-27-21-17-13-9-3)47-65-45-43-61-57(53-41-39-49(5)67-53)55-56(59(61)63)58(54-42-40-50(6)68-54)62(60(55)64)44-46-66-48-52(36-32-28-22-18-14-10-4)38-34-30-26-24-20-16-12-8-2;1-5-7-9-11-13-14-16-18-20-29(19-17-15-12-10-8-6-2)26-39-36(40)33-30(31-23-21-27(3)42-31)25-38-35(34(33)37(39)41)32-24-22-28(4)43-32;2*1-3-5-7-9-11-13-15-21-22(16-14-12-10-8-6-4-2)26-28-27-25(21)31-37-33-23(17-19-43-33)39(31)36(42)30(27)45-29(28)32-38-34-24(18-20-44-34)40(32)35(26)41;1-3-5-7-9-11-13-15-21-22(16-14-12-10-8-6-4-2)26-28-27-25(21)35(41)39-23-17-19-43-33(23)37-31(39)29(27)45-30(28)32-38-34-24(18-20-44-34)40(32)36(26)42;1-4-5-6-7-8-9-10-11-12-13-20-31-29(32)27-23(25-18-14-21(2)34-25)16-17-24(28(27)30(31)33)26-19-15-22(3)35-26;3*1-2/h39-42,51-52H,7-38,43-48H2,1-6H3;21-25,29H,5-20,26H2,1-4H3;3*17-20H,3-16H2,1-2H3;14-19H,4-13,20H2,1-3H3;3*1-2H3
InChIKeyMVCHOLWKGNGPKY-UHFFFAOYSA-N
MW4161.33 g/mol
LogP73.07
Rot. Bonds119

About 1,4-bis(5-methylthiophen-2-yl)-2,5-bis[2-(2-octyldodecoxy)ethyl]pyrrolo[3,4-c]pyrrole-3,6-dione;4,7-bis(5-methylthiophen-2-yl)-2-(2-octyldodecyl)pyrrolo[3,4-c]pyridine-1,3-dione;bis(12,13-dioctyl-5,18,27-trithia-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);12,13-dioctyl-5,20,27-trithia-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.016,23.017,21]heptacosa-1(26),2,4(8),6,11,13,17(21),18,22,24-decaene-10,15-dione;2-dodecyl-4,7-bis(5-methylthiophen-2-yl)isoindole-1,3-dione;ethane

1,4-bis(5-methylthiophen-2-yl)-2,5-bis[2-(2-octyldodecoxy)ethyl]pyrrolo[3,4-c]pyrrole-3,6-dione;4,7-bis(5-methylthiophen-2-yl)-2-(2-octyldodecyl)pyrrolo[3,4-c]pyridine-1,3-dione;bis(12,13-dioctyl-5,18,27-trithia-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);12,13-dioctyl-5,20,27-trithia-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.016,23.017,21]heptacosa-1(26),2,4(8),6,11,13,17(21),18,22,24-decaene-10,15-dione;2-dodecyl-4,7-bis(5-methylthiophen-2-yl)isoindole-1,3-dione;ethane (PubChem CID 159680114) has the molecular formula C241H321N17O14S15 and a molecular weight of 4161.33 g/mol. Its IUPAC name is 1,4-bis(5-methylthiophen-2-yl)-2,5-bis[2-(2-octyldodecoxy)ethyl]pyrrolo[3,4-c]pyrrole-3,6-dione;4,7-bis(5-methylthiophen-2-yl)-2-(2-octyldodecyl)pyrrolo[3,4-c]pyridine-1,3-dione;bis(12,13-dioctyl-5,18,27-trithia-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);12,13-dioctyl-5,20,27-trithia-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.016,23.017,21]heptacosa-1(26),2,4(8),6,11,13,17(21),18,22,24-decaene-10,15-dione;2-dodecyl-4,7-bis(5-methylthiophen-2-yl)isoindole-1,3-dione;ethane.

Molecular Properties

Compound Name1,4-bis(5-methylthiophen-2-yl)-2,5-bis[2-(2-octyldodecoxy)ethyl]pyrrolo[3,4-c]pyrrole-3,6-dione;4,7-bis(5-methylthiophen-2-yl)-2-(2-octyldodecyl)pyrrolo[3,4-c]pyridine-1,3-dione;bis(12,13-dioctyl-5,18,27-trithia-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);12,13-dioctyl-5,20,27-trithia-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.016,23.017,21]heptacosa-1(26),2,4(8),6,11,13,17(21),18,22,24-decaene-10,15-dione;2-dodecyl-4,7-bis(5-methylthiophen-2-yl)isoindole-1,3-dione;ethane
PubChem CID159680114
Molecular FormulaC241H321N17O14S15
Molecular Weight4161.33 g/mol
Exact Mass4157.07
IUPAC Name1,4-bis(5-methylthiophen-2-yl)-2,5-bis[2-(2-octyldodecoxy)ethyl]pyrrolo[3,4-c]pyrrole-3,6-dione;4,7-bis(5-methylthiophen-2-yl)-2-(2-octyldodecyl)pyrrolo[3,4-c]pyridine-1,3-dione;bis(12,13-dioctyl-5,18,27-trithia-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);12,13-dioctyl-5,20,27-trithia-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.016,23.017,21]heptacosa-1(26),2,4(8),6,11,13,17(21),18,22,24-decaene-10,15-dione;2-dodecyl-4,7-bis(5-methylthiophen-2-yl)isoindole-1,3-dione;ethane
SMILESCC.CC.CC.CCCCCCCCCCC(CCCCCCCC)CN1C(=O)c2c(-c3ccc(C)s3)cnc(-c3ccc(C)s3)c2C1=O.CCCCCCCCCCC(CCCCCCCC)COCCN1C(=O)C2=C(c3ccc(C)s3)N(CCOCC(CCCCCCCC)CCCCCCCCCC)C(=O)C2=C1c1ccc(C)s1.CCCCCCCCCCCCN1C(=O)c2c(-c3ccc(C)s3)ccc(-c3ccc(C)s3)c2C1=O.CCCCCCCCc1c(CCCCCCCC)c2c(=O)n3c4ccsc4nc3c3sc4c(c1c(=O)n1c5ccsc5nc41)c23.CCCCCCCCc1c(CCCCCCCC)c2c3c(sc4c3c1c(=O)n1c3ccsc3nc41)c(=O)n1c3ccsc3nc21.CCCCCCCCc1c(CCCCCCCC)c2c3c(sc4c3c1c(=O)n1c3ccsc3nc41)c(=O)n1c3ccsc3nc21
InChIInChI=1S/C60H100N2O4S2.C37H52N2O2S2.3C36H38N4O2S3.C30H37NO2S2.3C2H6/c1-7-11-15-19-23-25-29-33-37-51(35-31-27-21-17-13-9-3)47-65-45-43-61-57(53-41-39-49(5)67-53)55-56(59(61)63)58(54-42-40-50(6)68-54)62(60(55)64)44-46-66-48-52(36-32-28-22-18-14-10-4)38-34-30-26-24-20-16-12-8-2;1-5-7-9-11-13-14-16-18-20-29(19-17-15-12-10-8-6-2)26-39-36(40)33-30(31-23-21-27(3)42-31)25-38-35(34(33)37(39)41)32-24-22-28(4)43-32;2*1-3-5-7-9-11-13-15-21-22(16-14-12-10-8-6-4-2)26-28-27-25(21)31-37-33-23(17-19-43-33)39(31)36(42)30(27)45-29(28)32-38-34-24(18-20-44-34)40(32)35(26)41;1-3-5-7-9-11-13-15-21-22(16-14-12-10-8-6-4-2)26-28-27-25(21)35(41)39-23-17-19-43-33(23)37-31(39)29(27)45-30(28)32-38-34-24(18-20-44-34)40(32)36(26)42;1-4-5-6-7-8-9-10-11-12-13-20-31-29(32)27-23(25-18-14-21(2)34-25)16-17-24(28(27)30(31)33)26-19-15-22(3)35-26;3*1-2/h39-42,51-52H,7-38,43-48H2,1-6H3;21-25,29H,5-20,26H2,1-4H3;3*17-20H,3-16H2,1-2H3;14-19H,4-13,20H2,1-3H3;3*1-2H3
InChIKeyMVCHOLWKGNGPKY-UHFFFAOYSA-N
XLogP73.07
TPSA352.95 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds119
Heavy Atoms287
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004161.33
LogP ≤ 573.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1,4-bis(5-methylthiophen-2-yl)-2,5-bis[2-(2-octyldodecoxy)ethyl]pyrrolo[3,4-c]pyrrole-3,6-dione;4,7-bis(5-methylthiophen-2-yl)-2-(2-octyldodecyl)pyrrolo[3,4-c]pyridine-1,3-dione;bis(12,13-dioctyl-5,18,27-trithia-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);12,13-dioctyl-5,20,27-trithia-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.016,23.017,21]heptacosa-1(26),2,4(8),6,11,13,17(21),18,22,24-decaene-10,15-dione;2-dodecyl-4,7-bis(5-methylthiophen-2-yl)isoindole-1,3-dione;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(5-methylthiophen-2-yl)-2,5-bis[2-(2-octyldodecoxy)ethyl]pyrrolo[3,4-c]pyrrole-3,6-dione;4,7-bis(5-methylthiophen-2-yl)-2-(2-octyldodecyl)pyrrolo[3,4-c]pyridine-1,3-dione;bis(12,13-dioctyl-5,18,27-trithia-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);12,13-dioctyl-5,20,27-trithia-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.016,23.017,21]heptacosa-1(26),2,4(8),6,11,13,17(21),18,22,24-decaene-10,15-dione;2-dodecyl-4,7-bis(5-methylthiophen-2-yl)isoindole-1,3-dione;ethane?
The IUPAC name of 1,4-bis(5-methylthiophen-2-yl)-2,5-bis[2-(2-octyldodecoxy)ethyl]pyrrolo[3,4-c]pyrrole-3,6-dione;4,7-bis(5-methylthiophen-2-yl)-2-(2-octyldodecyl)pyrrolo[3,4-c]pyridine-1,3-dione;bis(12,13-dioctyl-5,18,27-trithia-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);12,13-dioctyl-5,20,27-trithia-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.016,23.017,21]heptacosa-1(26),2,4(8),6,11,13,17(21),18,22,24-decaene-10,15-dione;2-dodecyl-4,7-bis(5-methylthiophen-2-yl)isoindole-1,3-dione;ethane (CID 159680114) is 1,4-bis(5-methylthiophen-2-yl)-2,5-bis[2-(2-octyldodecoxy)ethyl]pyrrolo[3,4-c]pyrrole-3,6-dione;4,7-bis(5-methylthiophen-2-yl)-2-(2-octyldodecyl)pyrrolo[3,4-c]pyridine-1,3-dione;bis(12,13-dioctyl-5,18,27-trithia-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);12,13-dioctyl-5,20,27-trithia-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.016,23.017,21]heptacosa-1(26),2,4(8),6,11,13,17(21),18,22,24-decaene-10,15-dione;2-dodecyl-4,7-bis(5-methylthiophen-2-yl)isoindole-1,3-dione;ethane.
What is the SMILES notation for 1,4-bis(5-methylthiophen-2-yl)-2,5-bis[2-(2-octyldodecoxy)ethyl]pyrrolo[3,4-c]pyrrole-3,6-dione;4,7-bis(5-methylthiophen-2-yl)-2-(2-octyldodecyl)pyrrolo[3,4-c]pyridine-1,3-dione;bis(12,13-dioctyl-5,18,27-trithia-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);12,13-dioctyl-5,20,27-trithia-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.016,23.017,21]heptacosa-1(26),2,4(8),6,11,13,17(21),18,22,24-decaene-10,15-dione;2-dodecyl-4,7-bis(5-methylthiophen-2-yl)isoindole-1,3-dione;ethane?
The canonical SMILES for 1,4-bis(5-methylthiophen-2-yl)-2,5-bis[2-(2-octyldodecoxy)ethyl]pyrrolo[3,4-c]pyrrole-3,6-dione;4,7-bis(5-methylthiophen-2-yl)-2-(2-octyldodecyl)pyrrolo[3,4-c]pyridine-1,3-dione;bis(12,13-dioctyl-5,18,27-trithia-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);12,13-dioctyl-5,20,27-trithia-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.016,23.017,21]heptacosa-1(26),2,4(8),6,11,13,17(21),18,22,24-decaene-10,15-dione;2-dodecyl-4,7-bis(5-methylthiophen-2-yl)isoindole-1,3-dione;ethane is CC.CC.CC.CCCCCCCCCCC(CCCCCCCC)CN1C(=O)c2c(-c3ccc(C)s3)cnc(-c3ccc(C)s3)c2C1=O.CCCCCCCCCCC(CCCCCCCC)COCCN1C(=O)C2=C(c3ccc(C)s3)N(CCOCC(CCCCCCCC)CCCCCCCCCC)C(=O)C2=C1c1ccc(C)s1.CCCCCCCCCCCCN1C(=O)c2c(-c3ccc(C)s3)ccc(-c3ccc(C)s3)c2C1=O.CCCCCCCCc1c(CCCCCCCC)c2c(=O)n3c4ccsc4nc3c3sc4c(c1c(=O)n1c5ccsc5nc41)c23.CCCCCCCCc1c(CCCCCCCC)c2c3c(sc4c3c1c(=O)n1c3ccsc3nc41)c(=O)n1c3ccsc3nc21.CCCCCCCCc1c(CCCCCCCC)c2c3c(sc4c3c1c(=O)n1c3ccsc3nc41)c(=O)n1c3ccsc3nc21.
What is the InChIKey of 1,4-bis(5-methylthiophen-2-yl)-2,5-bis[2-(2-octyldodecoxy)ethyl]pyrrolo[3,4-c]pyrrole-3,6-dione;4,7-bis(5-methylthiophen-2-yl)-2-(2-octyldodecyl)pyrrolo[3,4-c]pyridine-1,3-dione;bis(12,13-dioctyl-5,18,27-trithia-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);12,13-dioctyl-5,20,27-trithia-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.016,23.017,21]heptacosa-1(26),2,4(8),6,11,13,17(21),18,22,24-decaene-10,15-dione;2-dodecyl-4,7-bis(5-methylthiophen-2-yl)isoindole-1,3-dione;ethane?
The InChIKey is MVCHOLWKGNGPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H100N2O4S2.C37H52N2O2S2.3C36H38N4O2S3.C30H37NO2S2.3C2H6/c1-7-11-15-19-23-25-29-33-37-51(35-31-27-21-17-13-9-3)47-65-45-43-61-57(53-41-39-49(5)67-53)55-56(59(61)63)58(54-42-40-50(6)68-54)62(60(55)64)44-46-66-48-52(36-32-28-22-18-14-10-4)38-34-30-26-24-20-16-12-8-2;1-5-7-9-11-13-14-16-18-20-29(19-17-15-12-10-8-6-2)26-39-36(40)33-30(31-23-21-27(3)42-31)25-38-35(34(33)37(39)41)32-24-22-28(4)43-32;2*1-3-5-7-9-11-13-15-21-22(16-14-12-10-8-6-4-2)26-28-27-25(21)31-37-33-23(17-19-43-33)39(31)36(42)30(27)45-29(28)32-38-34-24(18-20-44-34)40(32)35(26)41;1-3-5-7-9-11-13-15-21-22(16-14-12-10-8-6-4-2)26-28-27-25(21)35(41)39-23-17-19-43-33(23)37-31(39)29(27)45-30(28)32-38-34-24(18-20-44-34)40(32)36(26)42;1-4-5-6-7-8-9-10-11-12-13-20-31-29(32)27-23(25-18-14-21(2)34-25)16-17-24(28(27)30(31)33)26-19-15-22(3)35-26;3*1-2/h39-42,51-52H,7-38,43-48H2,1-6H3;21-25,29H,5-20,26H2,1-4H3;3*17-20H,3-16H2,1-2H3;14-19H,4-13,20H2,1-3H3;3*1-2H3.
What are the key properties of 1,4-bis(5-methylthiophen-2-yl)-2,5-bis[2-(2-octyldodecoxy)ethyl]pyrrolo[3,4-c]pyrrole-3,6-dione;4,7-bis(5-methylthiophen-2-yl)-2-(2-octyldodecyl)pyrrolo[3,4-c]pyridine-1,3-dione;bis(12,13-dioctyl-5,18,27-trithia-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);12,13-dioctyl-5,20,27-trithia-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.016,23.017,21]heptacosa-1(26),2,4(8),6,11,13,17(21),18,22,24-decaene-10,15-dione;2-dodecyl-4,7-bis(5-methylthiophen-2-yl)isoindole-1,3-dione;ethane?
1,4-bis(5-methylthiophen-2-yl)-2,5-bis[2-(2-octyldodecoxy)ethyl]pyrrolo[3,4-c]pyrrole-3,6-dione;4,7-bis(5-methylthiophen-2-yl)-2-(2-octyldodecyl)pyrrolo[3,4-c]pyridine-1,3-dione;bis(12,13-dioctyl-5,18,27-trithia-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);12,13-dioctyl-5,20,27-trithia-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.016,23.017,21]heptacosa-1(26),2,4(8),6,11,13,17(21),18,22,24-decaene-10,15-dione;2-dodecyl-4,7-bis(5-methylthiophen-2-yl)isoindole-1,3-dione;ethane has a molecular weight of 4161.33 g/mol, XLogP of 73.07, 119 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(5-methylthiophen-2-yl)-2,5-bis[2-(2-octyldodecoxy)ethyl]pyrrolo[3,4-c]pyrrole-3,6-dione;4,7-bis(5-methylthiophen-2-yl)-2-(2-octyldodecyl)pyrrolo[3,4-c]pyridine-1,3-dione;bis(12,13-dioctyl-5,18,27-trithia-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);12,13-dioctyl-5,20,27-trithia-3,9,16,22-tetrazaoctacyclo[22.2.1.02,9.04,8.011,26.014,25.016,23.017,21]heptacosa-1(26),2,4(8),6,11,13,17(21),18,22,24-decaene-10,15-dione;2-dodecyl-4,7-bis(5-methylthiophen-2-yl)isoindole-1,3-dione;ethane is sourced from PubChem (CID 159680114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).