1,4-bis(7-butoxy-9,9-dimethylfluoren-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-3,6-dione;4,7-bis[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[4-[4-[4-[4-(diethylamino)phenyl]phenyl]-2,1,3-benzothiadiazol-7-yl]phenyl]-N,N-diethylaniline;4-[5-[4-[5-[4-(diethylamino)phenyl]thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-N,N-diethylaniline;[dimethyl(trimethylsilyloxy)silyl]oxy-[3-[4-[5-[4-[5-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]phenoxy]propyl]-dimethylsilane

C214H250F2N14O16S10Si6 — CID 158992019

IUPAC1,4-bis(7-butoxy-9,9-dimethylfluoren-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-3,6-dione;4,7-bis[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[4-[4-[4-[4-(diethylamino)phenyl]phenyl]-2,1,3-benzothiadiazol-7-yl]phenyl]-N,N-diethylaniline;4-[5-[4-[5-[4-(diethylamino)phenyl]thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-N,N-diethylaniline;[dimethyl(trimethylsilyloxy)silyl]oxy-[3-[4-[5-[4-[5-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]phenoxy]propyl]-dimethylsilane
SMILESCCCCOc1ccc2c(c1)C(C)(C)c1cc(C3=C4C(=O)N(CC(CC)CCCC)C(c5ccc6c(c5)C(C)(C)c5cc(OCCCC)ccc5-6)=C4C(=O)N3CC(CC)CCCC)ccc1-2.CCN(CC)c1ccc(-c2ccc(-c3c(F)c(F)c(-c4ccc(-c5ccc(N(CC)CC)cc5)s4)c4nsnc34)s2)cc1.CCN(CC)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(N(CC)CC)cc5)cc4)c4nsnc34)cc2)cc1.COCCOCCOc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(OCCOCCOC)cc5)s4)c4nsnc34)s2)cc1.C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(OCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C)cc5)s4)c4nsnc34)s2)cc1
InChIInChI=1S/C60H76N2O4.C46H68N2O6S3Si6.C38H38N4S.C36H36N2O6S3.C34H32F2N4S3/c1-11-17-21-39(15-5)37-61-55(41-23-27-45-47-29-25-43(65-31-19-13-3)35-51(47)59(7,8)49(45)33-41)53-54(57(61)63)56(62(58(53)64)38-40(16-6)22-18-12-2)42-24-28-46-48-30-26-44(66-32-20-14-4)36-52(48)60(9,10)50(46)34-42;1-58(2,3)51-62(11,12)53-60(7,8)33-15-31-49-37-21-17-35(18-22-37)41-27-29-43(55-41)39-25-26-40(46-45(39)47-57-48-46)44-30-28-42(56-44)36-19-23-38(24-20-36)50-32-16-34-61(9,10)54-63(13,14)52-59(4,5)6;1-5-41(6-2)33-21-17-29(18-22-33)27-9-13-31(14-10-27)35-25-26-36(38-37(35)39-43-40-38)32-15-11-28(12-16-32)30-19-23-34(24-20-30)42(7-3)8-4;1-39-17-19-41-21-23-43-27-7-3-25(4-8-27)31-13-15-33(45-31)29-11-12-30(36-35(29)37-47-38-36)34-16-14-32(46-34)26-5-9-28(10-6-26)44-24-22-42-20-18-40-2;1-5-39(6-2)23-13-9-21(10-14-23)25-17-19-27(41-25)29-31(35)32(36)30(34-33(29)37-43-38-34)28-20-18-26(42-28)22-11-15-24(16-12-22)40(7-3)8-4/h23-30,33-36,39-40H,11-22,31-32,37-38H2,1-10H3;17-30H,15-16,31-34H2,1-14H3;9-26H,5-8H2,1-4H3;3-16H,17-24H2,1-2H3;9-20H,5-8H2,1-4H3
InChIKeyJQGWHOHGSCMOQY-UHFFFAOYSA-N
MW3801.62 g/mol
LogP59.54
Rot. Bonds82

About 1,4-bis(7-butoxy-9,9-dimethylfluoren-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-3,6-dione;4,7-bis[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[4-[4-[4-[4-(diethylamino)phenyl]phenyl]-2,1,3-benzothiadiazol-7-yl]phenyl]-N,N-diethylaniline;4-[5-[4-[5-[4-(diethylamino)phenyl]thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-N,N-diethylaniline;[dimethyl(trimethylsilyloxy)silyl]oxy-[3-[4-[5-[4-[5-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]phenoxy]propyl]-dimethylsilane

1,4-bis(7-butoxy-9,9-dimethylfluoren-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-3,6-dione;4,7-bis[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[4-[4-[4-[4-(diethylamino)phenyl]phenyl]-2,1,3-benzothiadiazol-7-yl]phenyl]-N,N-diethylaniline;4-[5-[4-[5-[4-(diethylamino)phenyl]thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-N,N-diethylaniline;[dimethyl(trimethylsilyloxy)silyl]oxy-[3-[4-[5-[4-[5-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]phenoxy]propyl]-dimethylsilane (PubChem CID 158992019) has the molecular formula C214H250F2N14O16S10Si6 and a molecular weight of 3801.62 g/mol. Its IUPAC name is 1,4-bis(7-butoxy-9,9-dimethylfluoren-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-3,6-dione;4,7-bis[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[4-[4-[4-[4-(diethylamino)phenyl]phenyl]-2,1,3-benzothiadiazol-7-yl]phenyl]-N,N-diethylaniline;4-[5-[4-[5-[4-(diethylamino)phenyl]thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-N,N-diethylaniline;[dimethyl(trimethylsilyloxy)silyl]oxy-[3-[4-[5-[4-[5-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]phenoxy]propyl]-dimethylsilane.

Molecular Properties

Compound Name1,4-bis(7-butoxy-9,9-dimethylfluoren-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-3,6-dione;4,7-bis[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[4-[4-[4-[4-(diethylamino)phenyl]phenyl]-2,1,3-benzothiadiazol-7-yl]phenyl]-N,N-diethylaniline;4-[5-[4-[5-[4-(diethylamino)phenyl]thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-N,N-diethylaniline;[dimethyl(trimethylsilyloxy)silyl]oxy-[3-[4-[5-[4-[5-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]phenoxy]propyl]-dimethylsilane
PubChem CID158992019
Molecular FormulaC214H250F2N14O16S10Si6
Molecular Weight3801.62 g/mol
Exact Mass3797.50
IUPAC Name1,4-bis(7-butoxy-9,9-dimethylfluoren-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-3,6-dione;4,7-bis[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[4-[4-[4-[4-(diethylamino)phenyl]phenyl]-2,1,3-benzothiadiazol-7-yl]phenyl]-N,N-diethylaniline;4-[5-[4-[5-[4-(diethylamino)phenyl]thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-N,N-diethylaniline;[dimethyl(trimethylsilyloxy)silyl]oxy-[3-[4-[5-[4-[5-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]phenoxy]propyl]-dimethylsilane
SMILESCCCCOc1ccc2c(c1)C(C)(C)c1cc(C3=C4C(=O)N(CC(CC)CCCC)C(c5ccc6c(c5)C(C)(C)c5cc(OCCCC)ccc5-6)=C4C(=O)N3CC(CC)CCCC)ccc1-2.CCN(CC)c1ccc(-c2ccc(-c3c(F)c(F)c(-c4ccc(-c5ccc(N(CC)CC)cc5)s4)c4nsnc34)s2)cc1.CCN(CC)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(N(CC)CC)cc5)cc4)c4nsnc34)cc2)cc1.COCCOCCOc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(OCCOCCOC)cc5)s4)c4nsnc34)s2)cc1.C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(OCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C)cc5)s4)c4nsnc34)s2)cc1
InChIInChI=1S/C60H76N2O4.C46H68N2O6S3Si6.C38H38N4S.C36H36N2O6S3.C34H32F2N4S3/c1-11-17-21-39(15-5)37-61-55(41-23-27-45-47-29-25-43(65-31-19-13-3)35-51(47)59(7,8)49(45)33-41)53-54(57(61)63)56(62(58(53)64)38-40(16-6)22-18-12-2)42-24-28-46-48-30-26-44(66-32-20-14-4)36-52(48)60(9,10)50(46)34-42;1-58(2,3)51-62(11,12)53-60(7,8)33-15-31-49-37-21-17-35(18-22-37)41-27-29-43(55-41)39-25-26-40(46-45(39)47-57-48-46)44-30-28-42(56-44)36-19-23-38(24-20-36)50-32-16-34-61(9,10)54-63(13,14)52-59(4,5)6;1-5-41(6-2)33-21-17-29(18-22-33)27-9-13-31(14-10-27)35-25-26-36(38-37(35)39-43-40-38)32-15-11-28(12-16-32)30-19-23-34(24-20-30)42(7-3)8-4;1-39-17-19-41-21-23-43-27-7-3-25(4-8-27)31-13-15-33(45-31)29-11-12-30(36-35(29)37-47-38-36)34-16-14-32(46-34)26-5-9-28(10-6-26)44-24-22-42-20-18-40-2;1-5-39(6-2)23-13-9-21(10-14-23)25-17-19-27(41-25)29-31(35)32(36)30(34-33(29)37-43-38-34)28-20-18-26(42-28)22-11-15-24(16-12-22)40(7-3)8-4/h23-30,33-36,39-40H,11-22,31-32,37-38H2,1-10H3;17-30H,15-16,31-34H2,1-14H3;9-26H,5-8H2,1-4H3;3-16H,17-24H2,1-2H3;9-20H,5-8H2,1-4H3
InChIKeyJQGWHOHGSCMOQY-UHFFFAOYSA-N
XLogP59.54
TPSA285.92 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds82
Heavy Atoms262
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003801.62
LogP ≤ 559.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

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': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1,4-bis(7-butoxy-9,9-dimethylfluoren-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-3,6-dione;4,7-bis[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[4-[4-[4-[4-(diethylamino)phenyl]phenyl]-2,1,3-benzothiadiazol-7-yl]phenyl]-N,N-diethylaniline;4-[5-[4-[5-[4-(diethylamino)phenyl]thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-N,N-diethylaniline;[dimethyl(trimethylsilyloxy)silyl]oxy-[3-[4-[5-[4-[5-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]phenoxy]propyl]-dimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(7-butoxy-9,9-dimethylfluoren-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-3,6-dione;4,7-bis[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[4-[4-[4-[4-(diethylamino)phenyl]phenyl]-2,1,3-benzothiadiazol-7-yl]phenyl]-N,N-diethylaniline;4-[5-[4-[5-[4-(diethylamino)phenyl]thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-N,N-diethylaniline;[dimethyl(trimethylsilyloxy)silyl]oxy-[3-[4-[5-[4-[5-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]phenoxy]propyl]-dimethylsilane?
The IUPAC name of 1,4-bis(7-butoxy-9,9-dimethylfluoren-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-3,6-dione;4,7-bis[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[4-[4-[4-[4-(diethylamino)phenyl]phenyl]-2,1,3-benzothiadiazol-7-yl]phenyl]-N,N-diethylaniline;4-[5-[4-[5-[4-(diethylamino)phenyl]thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-N,N-diethylaniline;[dimethyl(trimethylsilyloxy)silyl]oxy-[3-[4-[5-[4-[5-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]phenoxy]propyl]-dimethylsilane (CID 158992019) is 1,4-bis(7-butoxy-9,9-dimethylfluoren-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-3,6-dione;4,7-bis[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[4-[4-[4-[4-(diethylamino)phenyl]phenyl]-2,1,3-benzothiadiazol-7-yl]phenyl]-N,N-diethylaniline;4-[5-[4-[5-[4-(diethylamino)phenyl]thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-N,N-diethylaniline;[dimethyl(trimethylsilyloxy)silyl]oxy-[3-[4-[5-[4-[5-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]phenoxy]propyl]-dimethylsilane.
What is the SMILES notation for 1,4-bis(7-butoxy-9,9-dimethylfluoren-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-3,6-dione;4,7-bis[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[4-[4-[4-[4-(diethylamino)phenyl]phenyl]-2,1,3-benzothiadiazol-7-yl]phenyl]-N,N-diethylaniline;4-[5-[4-[5-[4-(diethylamino)phenyl]thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-N,N-diethylaniline;[dimethyl(trimethylsilyloxy)silyl]oxy-[3-[4-[5-[4-[5-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]phenoxy]propyl]-dimethylsilane?
The canonical SMILES for 1,4-bis(7-butoxy-9,9-dimethylfluoren-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-3,6-dione;4,7-bis[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[4-[4-[4-[4-(diethylamino)phenyl]phenyl]-2,1,3-benzothiadiazol-7-yl]phenyl]-N,N-diethylaniline;4-[5-[4-[5-[4-(diethylamino)phenyl]thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-N,N-diethylaniline;[dimethyl(trimethylsilyloxy)silyl]oxy-[3-[4-[5-[4-[5-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]phenoxy]propyl]-dimethylsilane is CCCCOc1ccc2c(c1)C(C)(C)c1cc(C3=C4C(=O)N(CC(CC)CCCC)C(c5ccc6c(c5)C(C)(C)c5cc(OCCCC)ccc5-6)=C4C(=O)N3CC(CC)CCCC)ccc1-2.CCN(CC)c1ccc(-c2ccc(-c3c(F)c(F)c(-c4ccc(-c5ccc(N(CC)CC)cc5)s4)c4nsnc34)s2)cc1.CCN(CC)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(N(CC)CC)cc5)cc4)c4nsnc34)cc2)cc1.COCCOCCOc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(OCCOCCOC)cc5)s4)c4nsnc34)s2)cc1.C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(OCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C)cc5)s4)c4nsnc34)s2)cc1.
What is the InChIKey of 1,4-bis(7-butoxy-9,9-dimethylfluoren-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-3,6-dione;4,7-bis[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[4-[4-[4-[4-(diethylamino)phenyl]phenyl]-2,1,3-benzothiadiazol-7-yl]phenyl]-N,N-diethylaniline;4-[5-[4-[5-[4-(diethylamino)phenyl]thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-N,N-diethylaniline;[dimethyl(trimethylsilyloxy)silyl]oxy-[3-[4-[5-[4-[5-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]phenoxy]propyl]-dimethylsilane?
The InChIKey is JQGWHOHGSCMOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H76N2O4.C46H68N2O6S3Si6.C38H38N4S.C36H36N2O6S3.C34H32F2N4S3/c1-11-17-21-39(15-5)37-61-55(41-23-27-45-47-29-25-43(65-31-19-13-3)35-51(47)59(7,8)49(45)33-41)53-54(57(61)63)56(62(58(53)64)38-40(16-6)22-18-12-2)42-24-28-46-48-30-26-44(66-32-20-14-4)36-52(48)60(9,10)50(46)34-42;1-58(2,3)51-62(11,12)53-60(7,8)33-15-31-49-37-21-17-35(18-22-37)41-27-29-43(55-41)39-25-26-40(46-45(39)47-57-48-46)44-30-28-42(56-44)36-19-23-38(24-20-36)50-32-16-34-61(9,10)54-63(13,14)52-59(4,5)6;1-5-41(6-2)33-21-17-29(18-22-33)27-9-13-31(14-10-27)35-25-26-36(38-37(35)39-43-40-38)32-15-11-28(12-16-32)30-19-23-34(24-20-30)42(7-3)8-4;1-39-17-19-41-21-23-43-27-7-3-25(4-8-27)31-13-15-33(45-31)29-11-12-30(36-35(29)37-47-38-36)34-16-14-32(46-34)26-5-9-28(10-6-26)44-24-22-42-20-18-40-2;1-5-39(6-2)23-13-9-21(10-14-23)25-17-19-27(41-25)29-31(35)32(36)30(34-33(29)37-43-38-34)28-20-18-26(42-28)22-11-15-24(16-12-22)40(7-3)8-4/h23-30,33-36,39-40H,11-22,31-32,37-38H2,1-10H3;17-30H,15-16,31-34H2,1-14H3;9-26H,5-8H2,1-4H3;3-16H,17-24H2,1-2H3;9-20H,5-8H2,1-4H3.
What are the key properties of 1,4-bis(7-butoxy-9,9-dimethylfluoren-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-3,6-dione;4,7-bis[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[4-[4-[4-[4-(diethylamino)phenyl]phenyl]-2,1,3-benzothiadiazol-7-yl]phenyl]-N,N-diethylaniline;4-[5-[4-[5-[4-(diethylamino)phenyl]thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-N,N-diethylaniline;[dimethyl(trimethylsilyloxy)silyl]oxy-[3-[4-[5-[4-[5-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]phenoxy]propyl]-dimethylsilane?
1,4-bis(7-butoxy-9,9-dimethylfluoren-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-3,6-dione;4,7-bis[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[4-[4-[4-[4-(diethylamino)phenyl]phenyl]-2,1,3-benzothiadiazol-7-yl]phenyl]-N,N-diethylaniline;4-[5-[4-[5-[4-(diethylamino)phenyl]thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-N,N-diethylaniline;[dimethyl(trimethylsilyloxy)silyl]oxy-[3-[4-[5-[4-[5-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]phenoxy]propyl]-dimethylsilane has a molecular weight of 3801.62 g/mol, XLogP of 59.54, 82 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(7-butoxy-9,9-dimethylfluoren-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-3,6-dione;4,7-bis[5-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[4-[4-[4-[4-(diethylamino)phenyl]phenyl]-2,1,3-benzothiadiazol-7-yl]phenyl]-N,N-diethylaniline;4-[5-[4-[5-[4-(diethylamino)phenyl]thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-N,N-diethylaniline;[dimethyl(trimethylsilyloxy)silyl]oxy-[3-[4-[5-[4-[5-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]phenoxy]propyl]-dimethylsilane is sourced from PubChem (CID 158992019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).