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

C188H266N4O8S12 — CID 158530492

IUPAC1,4-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
SMILESCCCCCCCCC(CCCCCC)Cc1ccc(OCCN2C(=O)C(c3cc4sc5c6sc(C)cc6sc5c4s3)=C3C2=C(C)C(=O)N3CCOc2ccc(CC(CCCCCC)CCCCCCCC)cc2)cc1.CCCCCCCCCCC(CCCCCCCCCC)CCCN1C(=O)/C(=C2/C(=O)N(CCCC(CCCCCCCCCC)CCCCCCCCCC)c3cc(-c4ccc(-c5ccc(C)s5)s4)ccc32)c2ccc(C)cc21.CCCCCCCCCCCCc1cc(C)sc1-c1ccc(-c2ccc(-c3sc(C4=C5SC(=O)C(C)=C5SC4=O)cc3CCCCCCCCCCCC)s2)s1
InChIInChI=1S/C74H114N2O2S2.C66H90N2O4S4.C48H62O2S6/c1-7-11-15-19-23-27-31-35-41-61(42-36-32-28-24-20-16-12-8-2)45-39-55-75-66-57-59(5)47-50-64(66)71(73(75)77)72-65-51-49-63(68-53-54-70(80-68)69-52-48-60(6)79-69)58-67(65)76(74(72)78)56-40-46-62(43-37-33-29-25-21-17-13-9-3)44-38-34-30-26-22-18-14-10-4;1-7-11-15-19-21-25-29-49(27-23-17-13-9-3)44-51-31-35-53(36-32-51)71-41-39-67-59-48(6)65(69)68(60(59)58(66(67)70)55-46-57-62(74-55)64-63(76-57)61-56(75-64)43-47(5)73-61)40-42-72-54-37-33-52(34-38-54)45-50(28-24-18-14-10-4)30-26-22-20-16-12-8-2;1-5-7-9-11-13-15-17-19-21-23-25-35-31-33(3)51-44(35)39-29-27-37(52-39)38-28-30-40(53-38)45-36(26-24-22-20-18-16-14-12-10-8-6-2)32-41(54-45)42-46-43(55-48(42)50)34(4)47(49)56-46/h47-54,57-58,61-62H,7-46,55-56H2,1-6H3;31-38,43,46,49-50H,7-30,39-42,44-45H2,1-6H3;27-32H,5-26H2,1-4H3/b72-71+;;
InChIKeyHNHNJNZQPZACGE-XYPJLJCYSA-N
MW3095.02 g/mol
LogP62.27
Rot. Bonds109

About 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

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 (PubChem CID 158530492) has the molecular formula C188H266N4O8S12 and a molecular weight of 3095.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,4-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
PubChem CID158530492
Molecular FormulaC188H266N4O8S12
Molecular Weight3095.02 g/mol
Exact Mass3091.72
IUPAC Name1,4-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
SMILESCCCCCCCCC(CCCCCC)Cc1ccc(OCCN2C(=O)C(c3cc4sc5c6sc(C)cc6sc5c4s3)=C3C2=C(C)C(=O)N3CCOc2ccc(CC(CCCCCC)CCCCCCCC)cc2)cc1.CCCCCCCCCCC(CCCCCCCCCC)CCCN1C(=O)/C(=C2/C(=O)N(CCCC(CCCCCCCCCC)CCCCCCCCCC)c3cc(-c4ccc(-c5ccc(C)s5)s4)ccc32)c2ccc(C)cc21.CCCCCCCCCCCCc1cc(C)sc1-c1ccc(-c2ccc(-c3sc(C4=C5SC(=O)C(C)=C5SC4=O)cc3CCCCCCCCCCCC)s2)s1
InChIInChI=1S/C74H114N2O2S2.C66H90N2O4S4.C48H62O2S6/c1-7-11-15-19-23-27-31-35-41-61(42-36-32-28-24-20-16-12-8-2)45-39-55-75-66-57-59(5)47-50-64(66)71(73(75)77)72-65-51-49-63(68-53-54-70(80-68)69-52-48-60(6)79-69)58-67(65)76(74(72)78)56-40-46-62(43-37-33-29-25-21-17-13-9-3)44-38-34-30-26-22-18-14-10-4;1-7-11-15-19-21-25-29-49(27-23-17-13-9-3)44-51-31-35-53(36-32-51)71-41-39-67-59-48(6)65(69)68(60(59)58(66(67)70)55-46-57-62(74-55)64-63(76-57)61-56(75-64)43-47(5)73-61)40-42-72-54-37-33-52(34-38-54)45-50(28-24-18-14-10-4)30-26-22-20-16-12-8-2;1-5-7-9-11-13-15-17-19-21-23-25-35-31-33(3)51-44(35)39-29-27-37(52-39)38-28-30-40(53-38)45-36(26-24-22-20-18-16-14-12-10-8-6-2)32-41(54-45)42-46-43(55-48(42)50)34(4)47(49)56-46/h47-54,57-58,61-62H,7-46,55-56H2,1-6H3;31-38,43,46,49-50H,7-30,39-42,44-45H2,1-6H3;27-32H,5-26H2,1-4H3/b72-71+;;
InChIKeyHNHNJNZQPZACGE-XYPJLJCYSA-N
XLogP62.27
TPSA133.84 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds109
Heavy Atoms212
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003095.02
LogP ≤ 562.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

(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
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
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(3-decylpentadecyl)-3,6-bis(5-methylthiophen-2-yl)pyrrolo[3,2-b]pyrrole-2,5-dione
CID 153316252
3-decyl-2-[5-[5-[3-decyl-5-(4-methylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene;3-dodecyl-2-[5-[5-[3-dodecyl-5-(4-methylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene;2-[5-[5-(5-methyl-3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(4-methylphenyl)-3-octylthiophene
CID 90958689
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-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;1-(2-methylthieno[3,2-b]thiophen-5-yl)-4-[2-(5-methylthiophen-2-yl)thieno[3,2-b]thiophen-5-yl]-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-3,6-dione
CID 162679006
(2E)-5-butyl-2-[5-butyl-6-[4-[10-(4-methylphenyl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]phenyl]-1-(4-octyldodecyl)-3-oxoindol-2-ylidene]-6-methyl-1-(4-octyldodecyl)indol-3-one
CID 130304667
4-[5-(5-tert-butyl-3-hexylthiophen-2-yl)thiophen-2-yl]-1-[5-[5-[5-[3-[5-[5-(5-tert-butylthiophen-2-yl)-3-hexylthiophen-2-yl]-4-hexylthiophen-2-yl]-2,3-dimethylbutan-2-yl]thiophen-2-yl]-3-hexylthiophen-2-yl]thiophen-2-yl]-2,5-bis(2-hexyldecyl)pyrrolo[3,4-c]pyrrole-3,6-dione
CID 91174048
(3E)-3-[6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1-(2-octyldodecyl)-2-oxoindol-3-ylidene]-6-methyl-1-(2-octyldodecyl)indol-2-one
CID 118667959
1,4-bis[4-(5-methylthiophen-2-yl)phenyl]-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-3,6-dione
CID 153316228

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCCCC(CCCCCC)Cc1ccc(OCCN2C(=O)C(c3cc4sc5c6sc(C)cc6sc5c4s3)=C3C2=C(C)C(=O)N3CCOc2ccc(CC(CCCCCC)CCCCCCCC)cc2)cc1.CCCCCCCCCCC(CCCCCCCCCC)CCCN1C(=O)/C(=C2/C(=O)N(CCCC(CCCCCCCCCC)CCCCCCCCCC)c3cc(-c4ccc(-c5ccc(C)s5)s4)ccc32)c2ccc(C)cc21.CCCCCCCCCCCCc1cc(C)sc1-c1ccc(-c2ccc(-c3sc(C4=C5SC(=O)C(C)=C5SC4=O)cc3CCCCCCCCCCCC)s2)s1.
What is the InChIKey of 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?
The InChIKey is HNHNJNZQPZACGE-XYPJLJCYSA-N. The full InChI is InChI=1S/C74H114N2O2S2.C66H90N2O4S4.C48H62O2S6/c1-7-11-15-19-23-27-31-35-41-61(42-36-32-28-24-20-16-12-8-2)45-39-55-75-66-57-59(5)47-50-64(66)71(73(75)77)72-65-51-49-63(68-53-54-70(80-68)69-52-48-60(6)79-69)58-67(65)76(74(72)78)56-40-46-62(43-37-33-29-25-21-17-13-9-3)44-38-34-30-26-22-18-14-10-4;1-7-11-15-19-21-25-29-49(27-23-17-13-9-3)44-51-31-35-53(36-32-51)71-41-39-67-59-48(6)65(69)68(60(59)58(66(67)70)55-46-57-62(74-55)64-63(76-57)61-56(75-64)43-47(5)73-61)40-42-72-54-37-33-52(34-38-54)45-50(28-24-18-14-10-4)30-26-22-20-16-12-8-2;1-5-7-9-11-13-15-17-19-21-23-25-35-31-33(3)51-44(35)39-29-27-37(52-39)38-28-30-40(53-38)45-36(26-24-22-20-18-16-14-12-10-8-6-2)32-41(54-45)42-46-43(55-48(42)50)34(4)47(49)56-46/h47-54,57-58,61-62H,7-46,55-56H2,1-6H3;31-38,43,46,49-50H,7-30,39-42,44-45H2,1-6H3;27-32H,5-26H2,1-4H3/b72-71+;;.
What are the key properties of 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?
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 has a molecular weight of 3095.02 g/mol, XLogP of 62.27, 109 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158530492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).