6,7-diethyl-4,9-bis[5-[4-(2-ethylhexyl)phenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;6,7-diethyl-4,9-bis[5-(4-pentylphenyl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-[4-(2-ethylheptyl)-2-fluorophenyl]phenyl]-9-[5-[4-(2-ethylheptyl)phenyl]thiophen-2-yl]-7-methyl-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-[4-(3-ethylheptyl)-2-fluorophenyl]phenyl]-9-[5-[4-(3-ethylheptyl)phenyl]thiophen-2-yl]-7-methyl-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-(2-fluoro-4-pentylphenyl)phenyl]-7-methyl-9-[5-(4-pentylphenyl)thiophen-2-yl]-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline

C232H246F12N20S12 — CID 161361608

IUPAC6,7-diethyl-4,9-bis[5-[4-(2-ethylhexyl)phenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;6,7-diethyl-4,9-bis[5-(4-pentylphenyl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-[4-(2-ethylheptyl)-2-fluorophenyl]phenyl]-9-[5-[4-(2-ethylheptyl)phenyl]thiophen-2-yl]-7-methyl-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-[4-(3-ethylheptyl)-2-fluorophenyl]phenyl]-9-[5-[4-(3-ethylheptyl)phenyl]thiophen-2-yl]-7-methyl-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-(2-fluoro-4-pentylphenyl)phenyl]-7-methyl-9-[5-(4-pentylphenyl)thiophen-2-yl]-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline
SMILESCCCCC(CC)CCc1ccc(-c2ccc(-c3c4nsnc4c(-c4ccc(-c5ccc(CCC(CC)CCCC)cc5F)cc4)c4nc(C(F)(F)F)c(C)nc34)s2)cc1.CCCCC(CC)Cc1ccc(-c2ccc(-c3c4nsnc4c(-c4ccc(-c5ccc(CC(CC)CCCC)cc5)s4)c4nc(CC)c(CC)nc34)s2)cc1.CCCCCC(CC)Cc1ccc(-c2ccc(-c3c4nsnc4c(-c4ccc(-c5ccc(CC(CC)CCCCC)cc5F)cc4)c4nc(C(F)(F)F)c(C)nc34)s2)cc1.CCCCCc1ccc(-c2ccc(-c3c4nsnc4c(-c4ccc(-c5ccc(CCCCC)cc5)s4)c4nc(CC)c(CC)nc34)s2)cc1.CCCCCc1ccc(-c2ccc(-c3c4nsnc4c(-c4ccc(-c5ccc(CCCCC)cc5F)cc4)c4nc(C(F)(F)F)c(C)nc34)s2)cc1
InChIInChI=1S/2C50H54F4N4S2.C48H56N4S3.C42H38F4N4S2.C42H44N4S3/c1-6-10-12-32(8-3)14-16-34-18-21-37(22-19-34)41-28-29-42(59-41)44-46-45(56-49(31(5)55-46)50(52,53)54)43(47-48(44)58-60-57-47)38-25-23-36(24-26-38)39-27-20-35(30-40(39)51)17-15-33(9-4)13-11-7-2;1-6-10-12-14-32(8-3)28-34-16-19-37(20-17-34)41-26-27-42(59-41)44-46-45(56-49(31(5)55-46)50(52,53)54)43(47-48(44)58-60-57-47)38-23-21-36(22-24-38)39-25-18-35(30-40(39)51)29-33(9-4)15-13-11-7-2;1-7-13-15-31(9-3)29-33-17-21-35(22-18-33)39-25-27-41(53-39)43-45-46(50-38(12-6)37(11-5)49-45)44(48-47(43)51-55-52-48)42-28-26-40(54-42)36-23-19-34(20-24-36)30-32(10-4)16-14-8-2;1-4-6-8-10-26-12-15-29(16-13-26)33-22-23-34(51-33)36-38-37(48-41(25(3)47-38)42(44,45)46)35(39-40(36)50-52-49-39)30-19-17-28(18-20-30)31-21-14-27(24-32(31)43)11-9-7-5-2;1-5-9-11-13-27-15-19-29(20-16-27)33-23-25-35(47-33)37-39-40(44-32(8-4)31(7-3)43-39)38(42-41(37)45-49-46-42)36-26-24-34(48-36)30-21-17-28(18-22-30)14-12-10-6-2/h18-30,32-33H,6-17H2,1-5H3;16-27,30,32-33H,6-15,28-29H2,1-5H3;17-28,31-32H,7-16,29-30H2,1-6H3;12-24H,4-11H2,1-3H3;15-26H,5-14H2,1-4H3
InChIKeyVPGGZRARWCBGNV-UHFFFAOYSA-N
MW3927.44 g/mol
LogP73.64
Rot. Bonds80

About 6,7-diethyl-4,9-bis[5-[4-(2-ethylhexyl)phenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;6,7-diethyl-4,9-bis[5-(4-pentylphenyl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-[4-(2-ethylheptyl)-2-fluorophenyl]phenyl]-9-[5-[4-(2-ethylheptyl)phenyl]thiophen-2-yl]-7-methyl-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-[4-(3-ethylheptyl)-2-fluorophenyl]phenyl]-9-[5-[4-(3-ethylheptyl)phenyl]thiophen-2-yl]-7-methyl-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-(2-fluoro-4-pentylphenyl)phenyl]-7-methyl-9-[5-(4-pentylphenyl)thiophen-2-yl]-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline

6,7-diethyl-4,9-bis[5-[4-(2-ethylhexyl)phenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;6,7-diethyl-4,9-bis[5-(4-pentylphenyl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-[4-(2-ethylheptyl)-2-fluorophenyl]phenyl]-9-[5-[4-(2-ethylheptyl)phenyl]thiophen-2-yl]-7-methyl-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-[4-(3-ethylheptyl)-2-fluorophenyl]phenyl]-9-[5-[4-(3-ethylheptyl)phenyl]thiophen-2-yl]-7-methyl-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-(2-fluoro-4-pentylphenyl)phenyl]-7-methyl-9-[5-(4-pentylphenyl)thiophen-2-yl]-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline (PubChem CID 161361608) has the molecular formula C232H246F12N20S12 and a molecular weight of 3927.44 g/mol. Its IUPAC name is 6,7-diethyl-4,9-bis[5-[4-(2-ethylhexyl)phenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;6,7-diethyl-4,9-bis[5-(4-pentylphenyl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-[4-(2-ethylheptyl)-2-fluorophenyl]phenyl]-9-[5-[4-(2-ethylheptyl)phenyl]thiophen-2-yl]-7-methyl-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-[4-(3-ethylheptyl)-2-fluorophenyl]phenyl]-9-[5-[4-(3-ethylheptyl)phenyl]thiophen-2-yl]-7-methyl-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-(2-fluoro-4-pentylphenyl)phenyl]-7-methyl-9-[5-(4-pentylphenyl)thiophen-2-yl]-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline.

Molecular Properties

Compound Name6,7-diethyl-4,9-bis[5-[4-(2-ethylhexyl)phenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;6,7-diethyl-4,9-bis[5-(4-pentylphenyl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-[4-(2-ethylheptyl)-2-fluorophenyl]phenyl]-9-[5-[4-(2-ethylheptyl)phenyl]thiophen-2-yl]-7-methyl-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-[4-(3-ethylheptyl)-2-fluorophenyl]phenyl]-9-[5-[4-(3-ethylheptyl)phenyl]thiophen-2-yl]-7-methyl-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-(2-fluoro-4-pentylphenyl)phenyl]-7-methyl-9-[5-(4-pentylphenyl)thiophen-2-yl]-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline
PubChem CID161361608
Molecular FormulaC232H246F12N20S12
Molecular Weight3927.44 g/mol
Exact Mass3923.63
IUPAC Name6,7-diethyl-4,9-bis[5-[4-(2-ethylhexyl)phenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;6,7-diethyl-4,9-bis[5-(4-pentylphenyl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-[4-(2-ethylheptyl)-2-fluorophenyl]phenyl]-9-[5-[4-(2-ethylheptyl)phenyl]thiophen-2-yl]-7-methyl-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-[4-(3-ethylheptyl)-2-fluorophenyl]phenyl]-9-[5-[4-(3-ethylheptyl)phenyl]thiophen-2-yl]-7-methyl-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-(2-fluoro-4-pentylphenyl)phenyl]-7-methyl-9-[5-(4-pentylphenyl)thiophen-2-yl]-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline
SMILESCCCCC(CC)CCc1ccc(-c2ccc(-c3c4nsnc4c(-c4ccc(-c5ccc(CCC(CC)CCCC)cc5F)cc4)c4nc(C(F)(F)F)c(C)nc34)s2)cc1.CCCCC(CC)Cc1ccc(-c2ccc(-c3c4nsnc4c(-c4ccc(-c5ccc(CC(CC)CCCC)cc5)s4)c4nc(CC)c(CC)nc34)s2)cc1.CCCCCC(CC)Cc1ccc(-c2ccc(-c3c4nsnc4c(-c4ccc(-c5ccc(CC(CC)CCCCC)cc5F)cc4)c4nc(C(F)(F)F)c(C)nc34)s2)cc1.CCCCCc1ccc(-c2ccc(-c3c4nsnc4c(-c4ccc(-c5ccc(CCCCC)cc5)s4)c4nc(CC)c(CC)nc34)s2)cc1.CCCCCc1ccc(-c2ccc(-c3c4nsnc4c(-c4ccc(-c5ccc(CCCCC)cc5F)cc4)c4nc(C(F)(F)F)c(C)nc34)s2)cc1
InChIInChI=1S/2C50H54F4N4S2.C48H56N4S3.C42H38F4N4S2.C42H44N4S3/c1-6-10-12-32(8-3)14-16-34-18-21-37(22-19-34)41-28-29-42(59-41)44-46-45(56-49(31(5)55-46)50(52,53)54)43(47-48(44)58-60-57-47)38-25-23-36(24-26-38)39-27-20-35(30-40(39)51)17-15-33(9-4)13-11-7-2;1-6-10-12-14-32(8-3)28-34-16-19-37(20-17-34)41-26-27-42(59-41)44-46-45(56-49(31(5)55-46)50(52,53)54)43(47-48(44)58-60-57-47)38-23-21-36(22-24-38)39-25-18-35(30-40(39)51)29-33(9-4)15-13-11-7-2;1-7-13-15-31(9-3)29-33-17-21-35(22-18-33)39-25-27-41(53-39)43-45-46(50-38(12-6)37(11-5)49-45)44(48-47(43)51-55-52-48)42-28-26-40(54-42)36-23-19-34(20-24-36)30-32(10-4)16-14-8-2;1-4-6-8-10-26-12-15-29(16-13-26)33-22-23-34(51-33)36-38-37(48-41(25(3)47-38)42(44,45)46)35(39-40(36)50-52-49-39)30-19-17-28(18-20-30)31-21-14-27(24-32(31)43)11-9-7-5-2;1-5-9-11-13-27-15-19-29(20-16-27)33-23-25-35(47-33)37-39-40(44-32(8-4)31(7-3)43-39)38(42-41(37)45-49-46-42)36-26-24-34(48-36)30-21-17-28(18-22-30)14-12-10-6-2/h18-30,32-33H,6-17H2,1-5H3;16-27,30,32-33H,6-15,28-29H2,1-5H3;17-28,31-32H,7-16,29-30H2,1-6H3;12-24H,4-11H2,1-3H3;15-26H,5-14H2,1-4H3
InChIKeyVPGGZRARWCBGNV-UHFFFAOYSA-N
XLogP73.64
TPSA257.80 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds80
Heavy Atoms276
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003927.44
LogP ≤ 573.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6,7-diethyl-4,9-bis[5-[4-(2-ethylhexyl)phenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;6,7-diethyl-4,9-bis[5-(4-pentylphenyl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-[4-(2-ethylheptyl)-2-fluorophenyl]phenyl]-9-[5-[4-(2-ethylheptyl)phenyl]thiophen-2-yl]-7-methyl-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-[4-(3-ethylheptyl)-2-fluorophenyl]phenyl]-9-[5-[4-(3-ethylheptyl)phenyl]thiophen-2-yl]-7-methyl-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-(2-fluoro-4-pentylphenyl)phenyl]-7-methyl-9-[5-(4-pentylphenyl)thiophen-2-yl]-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7-diethyl-4,9-bis[5-[4-(2-ethylhexyl)phenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;6,7-diethyl-4,9-bis[5-(4-pentylphenyl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-[4-(2-ethylheptyl)-2-fluorophenyl]phenyl]-9-[5-[4-(2-ethylheptyl)phenyl]thiophen-2-yl]-7-methyl-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-[4-(3-ethylheptyl)-2-fluorophenyl]phenyl]-9-[5-[4-(3-ethylheptyl)phenyl]thiophen-2-yl]-7-methyl-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-(2-fluoro-4-pentylphenyl)phenyl]-7-methyl-9-[5-(4-pentylphenyl)thiophen-2-yl]-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline?
The IUPAC name of 6,7-diethyl-4,9-bis[5-[4-(2-ethylhexyl)phenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;6,7-diethyl-4,9-bis[5-(4-pentylphenyl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-[4-(2-ethylheptyl)-2-fluorophenyl]phenyl]-9-[5-[4-(2-ethylheptyl)phenyl]thiophen-2-yl]-7-methyl-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-[4-(3-ethylheptyl)-2-fluorophenyl]phenyl]-9-[5-[4-(3-ethylheptyl)phenyl]thiophen-2-yl]-7-methyl-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-(2-fluoro-4-pentylphenyl)phenyl]-7-methyl-9-[5-(4-pentylphenyl)thiophen-2-yl]-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline (CID 161361608) is 6,7-diethyl-4,9-bis[5-[4-(2-ethylhexyl)phenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;6,7-diethyl-4,9-bis[5-(4-pentylphenyl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-[4-(2-ethylheptyl)-2-fluorophenyl]phenyl]-9-[5-[4-(2-ethylheptyl)phenyl]thiophen-2-yl]-7-methyl-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-[4-(3-ethylheptyl)-2-fluorophenyl]phenyl]-9-[5-[4-(3-ethylheptyl)phenyl]thiophen-2-yl]-7-methyl-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-(2-fluoro-4-pentylphenyl)phenyl]-7-methyl-9-[5-(4-pentylphenyl)thiophen-2-yl]-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline.
What is the SMILES notation for 6,7-diethyl-4,9-bis[5-[4-(2-ethylhexyl)phenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;6,7-diethyl-4,9-bis[5-(4-pentylphenyl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-[4-(2-ethylheptyl)-2-fluorophenyl]phenyl]-9-[5-[4-(2-ethylheptyl)phenyl]thiophen-2-yl]-7-methyl-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-[4-(3-ethylheptyl)-2-fluorophenyl]phenyl]-9-[5-[4-(3-ethylheptyl)phenyl]thiophen-2-yl]-7-methyl-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-(2-fluoro-4-pentylphenyl)phenyl]-7-methyl-9-[5-(4-pentylphenyl)thiophen-2-yl]-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline?
The canonical SMILES for 6,7-diethyl-4,9-bis[5-[4-(2-ethylhexyl)phenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;6,7-diethyl-4,9-bis[5-(4-pentylphenyl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-[4-(2-ethylheptyl)-2-fluorophenyl]phenyl]-9-[5-[4-(2-ethylheptyl)phenyl]thiophen-2-yl]-7-methyl-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-[4-(3-ethylheptyl)-2-fluorophenyl]phenyl]-9-[5-[4-(3-ethylheptyl)phenyl]thiophen-2-yl]-7-methyl-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-(2-fluoro-4-pentylphenyl)phenyl]-7-methyl-9-[5-(4-pentylphenyl)thiophen-2-yl]-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline is CCCCC(CC)CCc1ccc(-c2ccc(-c3c4nsnc4c(-c4ccc(-c5ccc(CCC(CC)CCCC)cc5F)cc4)c4nc(C(F)(F)F)c(C)nc34)s2)cc1.CCCCC(CC)Cc1ccc(-c2ccc(-c3c4nsnc4c(-c4ccc(-c5ccc(CC(CC)CCCC)cc5)s4)c4nc(CC)c(CC)nc34)s2)cc1.CCCCCC(CC)Cc1ccc(-c2ccc(-c3c4nsnc4c(-c4ccc(-c5ccc(CC(CC)CCCCC)cc5F)cc4)c4nc(C(F)(F)F)c(C)nc34)s2)cc1.CCCCCc1ccc(-c2ccc(-c3c4nsnc4c(-c4ccc(-c5ccc(CCCCC)cc5)s4)c4nc(CC)c(CC)nc34)s2)cc1.CCCCCc1ccc(-c2ccc(-c3c4nsnc4c(-c4ccc(-c5ccc(CCCCC)cc5F)cc4)c4nc(C(F)(F)F)c(C)nc34)s2)cc1.
What is the InChIKey of 6,7-diethyl-4,9-bis[5-[4-(2-ethylhexyl)phenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;6,7-diethyl-4,9-bis[5-(4-pentylphenyl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-[4-(2-ethylheptyl)-2-fluorophenyl]phenyl]-9-[5-[4-(2-ethylheptyl)phenyl]thiophen-2-yl]-7-methyl-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-[4-(3-ethylheptyl)-2-fluorophenyl]phenyl]-9-[5-[4-(3-ethylheptyl)phenyl]thiophen-2-yl]-7-methyl-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-(2-fluoro-4-pentylphenyl)phenyl]-7-methyl-9-[5-(4-pentylphenyl)thiophen-2-yl]-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline?
The InChIKey is VPGGZRARWCBGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H54F4N4S2.C48H56N4S3.C42H38F4N4S2.C42H44N4S3/c1-6-10-12-32(8-3)14-16-34-18-21-37(22-19-34)41-28-29-42(59-41)44-46-45(56-49(31(5)55-46)50(52,53)54)43(47-48(44)58-60-57-47)38-25-23-36(24-26-38)39-27-20-35(30-40(39)51)17-15-33(9-4)13-11-7-2;1-6-10-12-14-32(8-3)28-34-16-19-37(20-17-34)41-26-27-42(59-41)44-46-45(56-49(31(5)55-46)50(52,53)54)43(47-48(44)58-60-57-47)38-23-21-36(22-24-38)39-25-18-35(30-40(39)51)29-33(9-4)15-13-11-7-2;1-7-13-15-31(9-3)29-33-17-21-35(22-18-33)39-25-27-41(53-39)43-45-46(50-38(12-6)37(11-5)49-45)44(48-47(43)51-55-52-48)42-28-26-40(54-42)36-23-19-34(20-24-36)30-32(10-4)16-14-8-2;1-4-6-8-10-26-12-15-29(16-13-26)33-22-23-34(51-33)36-38-37(48-41(25(3)47-38)42(44,45)46)35(39-40(36)50-52-49-39)30-19-17-28(18-20-30)31-21-14-27(24-32(31)43)11-9-7-5-2;1-5-9-11-13-27-15-19-29(20-16-27)33-23-25-35(47-33)37-39-40(44-32(8-4)31(7-3)43-39)38(42-41(37)45-49-46-42)36-26-24-34(48-36)30-21-17-28(18-22-30)14-12-10-6-2/h18-30,32-33H,6-17H2,1-5H3;16-27,30,32-33H,6-15,28-29H2,1-5H3;17-28,31-32H,7-16,29-30H2,1-6H3;12-24H,4-11H2,1-3H3;15-26H,5-14H2,1-4H3.
What are the key properties of 6,7-diethyl-4,9-bis[5-[4-(2-ethylhexyl)phenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;6,7-diethyl-4,9-bis[5-(4-pentylphenyl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-[4-(2-ethylheptyl)-2-fluorophenyl]phenyl]-9-[5-[4-(2-ethylheptyl)phenyl]thiophen-2-yl]-7-methyl-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-[4-(3-ethylheptyl)-2-fluorophenyl]phenyl]-9-[5-[4-(3-ethylheptyl)phenyl]thiophen-2-yl]-7-methyl-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-(2-fluoro-4-pentylphenyl)phenyl]-7-methyl-9-[5-(4-pentylphenyl)thiophen-2-yl]-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline?
6,7-diethyl-4,9-bis[5-[4-(2-ethylhexyl)phenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;6,7-diethyl-4,9-bis[5-(4-pentylphenyl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-[4-(2-ethylheptyl)-2-fluorophenyl]phenyl]-9-[5-[4-(2-ethylheptyl)phenyl]thiophen-2-yl]-7-methyl-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-[4-(3-ethylheptyl)-2-fluorophenyl]phenyl]-9-[5-[4-(3-ethylheptyl)phenyl]thiophen-2-yl]-7-methyl-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-(2-fluoro-4-pentylphenyl)phenyl]-7-methyl-9-[5-(4-pentylphenyl)thiophen-2-yl]-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline has a molecular weight of 3927.44 g/mol, XLogP of 73.64, 80 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethyl-4,9-bis[5-[4-(2-ethylhexyl)phenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;6,7-diethyl-4,9-bis[5-(4-pentylphenyl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-[4-(2-ethylheptyl)-2-fluorophenyl]phenyl]-9-[5-[4-(2-ethylheptyl)phenyl]thiophen-2-yl]-7-methyl-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-[4-(3-ethylheptyl)-2-fluorophenyl]phenyl]-9-[5-[4-(3-ethylheptyl)phenyl]thiophen-2-yl]-7-methyl-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4-[4-(2-fluoro-4-pentylphenyl)phenyl]-7-methyl-9-[5-(4-pentylphenyl)thiophen-2-yl]-6-(trifluoromethyl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline is sourced from PubChem (CID 161361608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).