1-bromo-4-hexoxybenzene;5-[5-[5-[5-(9-ethylcarbazol-3-yl)-4-hexylthiophen-2-yl]-4-hexylthiophen-2-yl]thiophen-2-yl]thiophene-2-carbaldehyde;5-[5-[5-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]-4-hexylthiophene-2-carbaldehyde;9-ethyl-3-(4-hexoxyphenyl)carbazole;9-ethyl-3-(4-hexoxyphenyl)-6-[3-hexyl-5-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-(4-hexoxyphenyl)-6-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-[3-hexyl-5-[3-hexyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-[5-[5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-(5-thiophen-2-ylthiophen-2-yl)carbazole;4,4,5,5-tetramethyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane

C366H416BBrN8O8S27 — CID 158574494

IUPAC1-bromo-4-hexoxybenzene;5-[5-[5-[5-(9-ethylcarbazol-3-yl)-4-hexylthiophen-2-yl]-4-hexylthiophen-2-yl]thiophen-2-yl]thiophene-2-carbaldehyde;5-[5-[5-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]-4-hexylthiophene-2-carbaldehyde;9-ethyl-3-(4-hexoxyphenyl)carbazole;9-ethyl-3-(4-hexoxyphenyl)-6-[3-hexyl-5-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-(4-hexoxyphenyl)-6-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-[3-hexyl-5-[3-hexyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-[5-[5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-(5-thiophen-2-ylthiophen-2-yl)carbazole;4,4,5,5-tetramethyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc(-c3cccs3)s2)OC1(C)C.CCCCCCOc1ccc(-c2ccc3c(c2)c2cc(-c4sc(-c5sc(-c6sc(-c7sccc7CCCCCC)cc6CCCCCC)cc5CCCCCC)cc4CCCCCC)ccc2n3CC)cc1.CCCCCCOc1ccc(-c2ccc3c(c2)c2cc(-c4sc(-c5sc(-c6sccc6CCCCCC)cc5CCCCCC)cc4CCCCCC)ccc2n3CC)cc1.CCCCCCOc1ccc(-c2ccc3c(c2)c2ccccc2n3CC)cc1.CCCCCCOc1ccc(Br)cc1.CCCCCCc1cc(-c2sc(-c3ccc(-c4ccc(C=O)s4)s3)cc2CCCCCC)sc1-c1ccc2c(c1)c1ccccc1n2CC.CCCCCCc1cc(-c2sc(-c3ccc(-c4cccs4)s3)cc2CCCCCC)sc1-c1ccc2c(c1)c1ccccc1n2CC.CCCCCCc1cc(C=O)sc1-c1cc(CCCCCC)c(-c2ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5CC)s3)s2)s1.CCCCCCc1ccsc1-c1cc(CCCCCC)c(-c2ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5CC)s3)s2)s1.CCn1c2ccccc2c2cc(-c3ccc(-c4cccs4)s3)ccc21
InChIInChI=1S/C66H85NOS4.C56H71NOS3.2C43H45NOS4.2C42H45NS4.C26H29NO.C22H17NS2.C14H17BO2S2.C12H17BrO/c1-7-13-18-23-28-49-40-42-69-64(49)60-46-52(30-25-20-15-9-3)66(71-60)62-47-53(31-26-21-16-10-4)65(72-62)61-45-51(29-24-19-14-8-2)63(70-61)54-35-39-59-57(44-54)56-43-50(34-38-58(56)67(59)12-6)48-32-36-55(37-33-48)68-41-27-22-17-11-5;1-6-11-15-19-23-42-34-36-59-55(42)52-40-45(25-21-17-13-8-3)56(61-52)53-39-44(24-20-16-12-7-2)54(60-53)46-29-33-51-49(38-46)48-37-43(28-32-50(48)57(51)10-5)41-26-30-47(31-27-41)58-35-22-18-14-9-4;1-4-7-9-11-15-29-27-41(49-42(29)31-19-21-36-34(25-31)33-17-13-14-18-35(33)44(36)6-3)43-30(16-12-10-8-5-2)26-40(48-43)39-24-23-38(47-39)37-22-20-32(28-45)46-37;1-4-7-9-11-15-30-25-32(28-45)46-43(30)41-27-31(16-12-10-8-5-2)42(49-41)40-24-23-39(48-40)38-22-21-37(47-38)29-19-20-36-34(26-29)33-17-13-14-18-35(33)44(36)6-3;1-4-7-9-11-16-29-28-40(47-41(29)31-21-22-35-33(26-31)32-18-13-14-19-34(32)43(35)6-3)42-30(17-12-10-8-5-2)27-39(46-42)38-24-23-37(45-38)36-20-15-25-44-36;1-4-7-9-11-15-29-25-26-44-41(29)40-28-31(16-12-10-8-5-2)42(47-40)39-24-23-38(46-39)37-22-21-36(45-37)30-19-20-35-33(27-30)32-17-13-14-18-34(32)43(35)6-3;1-3-5-6-9-18-28-22-15-12-20(13-16-22)21-14-17-26-24(19-21)23-10-7-8-11-25(23)27(26)4-2;1-2-23-18-7-4-3-6-16(18)17-14-15(9-10-19(17)23)20-11-12-22(25-20)21-8-5-13-24-21;1-13(2)14(3,4)17-15(16-13)12-8-7-11(19-12)10-6-5-9-18-10;1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h32-40,42-47H,7-31,41H2,1-6H3;26-34,36-40H,6-25,35H2,1-5H3;2*13-14,17-28H,4-12,15-16H2,1-3H3;13-15,18-28H,4-12,16-17H2,1-3H3;13-14,17-28H,4-12,15-16H2,1-3H3;7-8,10-17,19H,3-6,9,18H2,1-2H3;3-14H,2H2,1H3;5-9H,1-4H3;6-9H,2-5,10H2,1H3
InChIKeyHSMLPKHGZNYALC-UHFFFAOYSA-N
MW6011.93 g/mol
LogP124.26
Rot. Bonds139

About 1-bromo-4-hexoxybenzene;5-[5-[5-[5-(9-ethylcarbazol-3-yl)-4-hexylthiophen-2-yl]-4-hexylthiophen-2-yl]thiophen-2-yl]thiophene-2-carbaldehyde;5-[5-[5-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]-4-hexylthiophene-2-carbaldehyde;9-ethyl-3-(4-hexoxyphenyl)carbazole;9-ethyl-3-(4-hexoxyphenyl)-6-[3-hexyl-5-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-(4-hexoxyphenyl)-6-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-[3-hexyl-5-[3-hexyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-[5-[5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-(5-thiophen-2-ylthiophen-2-yl)carbazole;4,4,5,5-tetramethyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane

1-bromo-4-hexoxybenzene;5-[5-[5-[5-(9-ethylcarbazol-3-yl)-4-hexylthiophen-2-yl]-4-hexylthiophen-2-yl]thiophen-2-yl]thiophene-2-carbaldehyde;5-[5-[5-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]-4-hexylthiophene-2-carbaldehyde;9-ethyl-3-(4-hexoxyphenyl)carbazole;9-ethyl-3-(4-hexoxyphenyl)-6-[3-hexyl-5-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-(4-hexoxyphenyl)-6-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-[3-hexyl-5-[3-hexyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-[5-[5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-(5-thiophen-2-ylthiophen-2-yl)carbazole;4,4,5,5-tetramethyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane (PubChem CID 158574494) has the molecular formula C366H416BBrN8O8S27 and a molecular weight of 6011.93 g/mol. Its IUPAC name is 1-bromo-4-hexoxybenzene;5-[5-[5-[5-(9-ethylcarbazol-3-yl)-4-hexylthiophen-2-yl]-4-hexylthiophen-2-yl]thiophen-2-yl]thiophene-2-carbaldehyde;5-[5-[5-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]-4-hexylthiophene-2-carbaldehyde;9-ethyl-3-(4-hexoxyphenyl)carbazole;9-ethyl-3-(4-hexoxyphenyl)-6-[3-hexyl-5-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-(4-hexoxyphenyl)-6-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-[3-hexyl-5-[3-hexyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-[5-[5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-(5-thiophen-2-ylthiophen-2-yl)carbazole;4,4,5,5-tetramethyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name1-bromo-4-hexoxybenzene;5-[5-[5-[5-(9-ethylcarbazol-3-yl)-4-hexylthiophen-2-yl]-4-hexylthiophen-2-yl]thiophen-2-yl]thiophene-2-carbaldehyde;5-[5-[5-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]-4-hexylthiophene-2-carbaldehyde;9-ethyl-3-(4-hexoxyphenyl)carbazole;9-ethyl-3-(4-hexoxyphenyl)-6-[3-hexyl-5-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-(4-hexoxyphenyl)-6-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-[3-hexyl-5-[3-hexyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-[5-[5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-(5-thiophen-2-ylthiophen-2-yl)carbazole;4,4,5,5-tetramethyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane
PubChem CID158574494
Molecular FormulaC366H416BBrN8O8S27
Molecular Weight6011.93 g/mol
Exact Mass6004.41
IUPAC Name1-bromo-4-hexoxybenzene;5-[5-[5-[5-(9-ethylcarbazol-3-yl)-4-hexylthiophen-2-yl]-4-hexylthiophen-2-yl]thiophen-2-yl]thiophene-2-carbaldehyde;5-[5-[5-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]-4-hexylthiophene-2-carbaldehyde;9-ethyl-3-(4-hexoxyphenyl)carbazole;9-ethyl-3-(4-hexoxyphenyl)-6-[3-hexyl-5-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-(4-hexoxyphenyl)-6-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-[3-hexyl-5-[3-hexyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-[5-[5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-(5-thiophen-2-ylthiophen-2-yl)carbazole;4,4,5,5-tetramethyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc(-c3cccs3)s2)OC1(C)C.CCCCCCOc1ccc(-c2ccc3c(c2)c2cc(-c4sc(-c5sc(-c6sc(-c7sccc7CCCCCC)cc6CCCCCC)cc5CCCCCC)cc4CCCCCC)ccc2n3CC)cc1.CCCCCCOc1ccc(-c2ccc3c(c2)c2cc(-c4sc(-c5sc(-c6sccc6CCCCCC)cc5CCCCCC)cc4CCCCCC)ccc2n3CC)cc1.CCCCCCOc1ccc(-c2ccc3c(c2)c2ccccc2n3CC)cc1.CCCCCCOc1ccc(Br)cc1.CCCCCCc1cc(-c2sc(-c3ccc(-c4ccc(C=O)s4)s3)cc2CCCCCC)sc1-c1ccc2c(c1)c1ccccc1n2CC.CCCCCCc1cc(-c2sc(-c3ccc(-c4cccs4)s3)cc2CCCCCC)sc1-c1ccc2c(c1)c1ccccc1n2CC.CCCCCCc1cc(C=O)sc1-c1cc(CCCCCC)c(-c2ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5CC)s3)s2)s1.CCCCCCc1ccsc1-c1cc(CCCCCC)c(-c2ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5CC)s3)s2)s1.CCn1c2ccccc2c2cc(-c3ccc(-c4cccs4)s3)ccc21
InChIInChI=1S/C66H85NOS4.C56H71NOS3.2C43H45NOS4.2C42H45NS4.C26H29NO.C22H17NS2.C14H17BO2S2.C12H17BrO/c1-7-13-18-23-28-49-40-42-69-64(49)60-46-52(30-25-20-15-9-3)66(71-60)62-47-53(31-26-21-16-10-4)65(72-62)61-45-51(29-24-19-14-8-2)63(70-61)54-35-39-59-57(44-54)56-43-50(34-38-58(56)67(59)12-6)48-32-36-55(37-33-48)68-41-27-22-17-11-5;1-6-11-15-19-23-42-34-36-59-55(42)52-40-45(25-21-17-13-8-3)56(61-52)53-39-44(24-20-16-12-7-2)54(60-53)46-29-33-51-49(38-46)48-37-43(28-32-50(48)57(51)10-5)41-26-30-47(31-27-41)58-35-22-18-14-9-4;1-4-7-9-11-15-29-27-41(49-42(29)31-19-21-36-34(25-31)33-17-13-14-18-35(33)44(36)6-3)43-30(16-12-10-8-5-2)26-40(48-43)39-24-23-38(47-39)37-22-20-32(28-45)46-37;1-4-7-9-11-15-30-25-32(28-45)46-43(30)41-27-31(16-12-10-8-5-2)42(49-41)40-24-23-39(48-40)38-22-21-37(47-38)29-19-20-36-34(26-29)33-17-13-14-18-35(33)44(36)6-3;1-4-7-9-11-16-29-28-40(47-41(29)31-21-22-35-33(26-31)32-18-13-14-19-34(32)43(35)6-3)42-30(17-12-10-8-5-2)27-39(46-42)38-24-23-37(45-38)36-20-15-25-44-36;1-4-7-9-11-15-29-25-26-44-41(29)40-28-31(16-12-10-8-5-2)42(47-40)39-24-23-38(46-39)37-22-21-36(45-37)30-19-20-35-33(27-30)32-17-13-14-18-34(32)43(35)6-3;1-3-5-6-9-18-28-22-15-12-20(13-16-22)21-14-17-26-24(19-21)23-10-7-8-11-25(23)27(26)4-2;1-2-23-18-7-4-3-6-16(18)17-14-15(9-10-19(17)23)20-11-12-22(25-20)21-8-5-13-24-21;1-13(2)14(3,4)17-15(16-13)12-8-7-11(19-12)10-6-5-9-18-10;1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h32-40,42-47H,7-31,41H2,1-6H3;26-34,36-40H,6-25,35H2,1-5H3;2*13-14,17-28H,4-12,15-16H2,1-3H3;13-15,18-28H,4-12,16-17H2,1-3H3;13-14,17-28H,4-12,15-16H2,1-3H3;7-8,10-17,19H,3-6,9,18H2,1-2H3;3-14H,2H2,1H3;5-9H,1-4H3;6-9H,2-5,10H2,1H3
InChIKeyHSMLPKHGZNYALC-UHFFFAOYSA-N
XLogP124.26
TPSA128.96 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds139
Heavy Atoms411
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006011.93
LogP ≤ 5124.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

Analyze 1-bromo-4-hexoxybenzene;5-[5-[5-[5-(9-ethylcarbazol-3-yl)-4-hexylthiophen-2-yl]-4-hexylthiophen-2-yl]thiophen-2-yl]thiophene-2-carbaldehyde;5-[5-[5-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]-4-hexylthiophene-2-carbaldehyde;9-ethyl-3-(4-hexoxyphenyl)carbazole;9-ethyl-3-(4-hexoxyphenyl)-6-[3-hexyl-5-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-(4-hexoxyphenyl)-6-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-[3-hexyl-5-[3-hexyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-[5-[5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-(5-thiophen-2-ylthiophen-2-yl)carbazole;4,4,5,5-tetramethyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-hexoxybenzene;5-[5-[5-[5-(9-ethylcarbazol-3-yl)-4-hexylthiophen-2-yl]-4-hexylthiophen-2-yl]thiophen-2-yl]thiophene-2-carbaldehyde;5-[5-[5-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]-4-hexylthiophene-2-carbaldehyde;9-ethyl-3-(4-hexoxyphenyl)carbazole;9-ethyl-3-(4-hexoxyphenyl)-6-[3-hexyl-5-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-(4-hexoxyphenyl)-6-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-[3-hexyl-5-[3-hexyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-[5-[5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-(5-thiophen-2-ylthiophen-2-yl)carbazole;4,4,5,5-tetramethyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 1-bromo-4-hexoxybenzene;5-[5-[5-[5-(9-ethylcarbazol-3-yl)-4-hexylthiophen-2-yl]-4-hexylthiophen-2-yl]thiophen-2-yl]thiophene-2-carbaldehyde;5-[5-[5-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]-4-hexylthiophene-2-carbaldehyde;9-ethyl-3-(4-hexoxyphenyl)carbazole;9-ethyl-3-(4-hexoxyphenyl)-6-[3-hexyl-5-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-(4-hexoxyphenyl)-6-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-[3-hexyl-5-[3-hexyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-[5-[5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-(5-thiophen-2-ylthiophen-2-yl)carbazole;4,4,5,5-tetramethyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane (CID 158574494) is 1-bromo-4-hexoxybenzene;5-[5-[5-[5-(9-ethylcarbazol-3-yl)-4-hexylthiophen-2-yl]-4-hexylthiophen-2-yl]thiophen-2-yl]thiophene-2-carbaldehyde;5-[5-[5-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]-4-hexylthiophene-2-carbaldehyde;9-ethyl-3-(4-hexoxyphenyl)carbazole;9-ethyl-3-(4-hexoxyphenyl)-6-[3-hexyl-5-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-(4-hexoxyphenyl)-6-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-[3-hexyl-5-[3-hexyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-[5-[5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-(5-thiophen-2-ylthiophen-2-yl)carbazole;4,4,5,5-tetramethyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 1-bromo-4-hexoxybenzene;5-[5-[5-[5-(9-ethylcarbazol-3-yl)-4-hexylthiophen-2-yl]-4-hexylthiophen-2-yl]thiophen-2-yl]thiophene-2-carbaldehyde;5-[5-[5-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]-4-hexylthiophene-2-carbaldehyde;9-ethyl-3-(4-hexoxyphenyl)carbazole;9-ethyl-3-(4-hexoxyphenyl)-6-[3-hexyl-5-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-(4-hexoxyphenyl)-6-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-[3-hexyl-5-[3-hexyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-[5-[5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-(5-thiophen-2-ylthiophen-2-yl)carbazole;4,4,5,5-tetramethyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 1-bromo-4-hexoxybenzene;5-[5-[5-[5-(9-ethylcarbazol-3-yl)-4-hexylthiophen-2-yl]-4-hexylthiophen-2-yl]thiophen-2-yl]thiophene-2-carbaldehyde;5-[5-[5-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]-4-hexylthiophene-2-carbaldehyde;9-ethyl-3-(4-hexoxyphenyl)carbazole;9-ethyl-3-(4-hexoxyphenyl)-6-[3-hexyl-5-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-(4-hexoxyphenyl)-6-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-[3-hexyl-5-[3-hexyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-[5-[5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-(5-thiophen-2-ylthiophen-2-yl)carbazole;4,4,5,5-tetramethyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(c2ccc(-c3cccs3)s2)OC1(C)C.CCCCCCOc1ccc(-c2ccc3c(c2)c2cc(-c4sc(-c5sc(-c6sc(-c7sccc7CCCCCC)cc6CCCCCC)cc5CCCCCC)cc4CCCCCC)ccc2n3CC)cc1.CCCCCCOc1ccc(-c2ccc3c(c2)c2cc(-c4sc(-c5sc(-c6sccc6CCCCCC)cc5CCCCCC)cc4CCCCCC)ccc2n3CC)cc1.CCCCCCOc1ccc(-c2ccc3c(c2)c2ccccc2n3CC)cc1.CCCCCCOc1ccc(Br)cc1.CCCCCCc1cc(-c2sc(-c3ccc(-c4ccc(C=O)s4)s3)cc2CCCCCC)sc1-c1ccc2c(c1)c1ccccc1n2CC.CCCCCCc1cc(-c2sc(-c3ccc(-c4cccs4)s3)cc2CCCCCC)sc1-c1ccc2c(c1)c1ccccc1n2CC.CCCCCCc1cc(C=O)sc1-c1cc(CCCCCC)c(-c2ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5CC)s3)s2)s1.CCCCCCc1ccsc1-c1cc(CCCCCC)c(-c2ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5CC)s3)s2)s1.CCn1c2ccccc2c2cc(-c3ccc(-c4cccs4)s3)ccc21.
What is the InChIKey of 1-bromo-4-hexoxybenzene;5-[5-[5-[5-(9-ethylcarbazol-3-yl)-4-hexylthiophen-2-yl]-4-hexylthiophen-2-yl]thiophen-2-yl]thiophene-2-carbaldehyde;5-[5-[5-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]-4-hexylthiophene-2-carbaldehyde;9-ethyl-3-(4-hexoxyphenyl)carbazole;9-ethyl-3-(4-hexoxyphenyl)-6-[3-hexyl-5-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-(4-hexoxyphenyl)-6-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-[3-hexyl-5-[3-hexyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-[5-[5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-(5-thiophen-2-ylthiophen-2-yl)carbazole;4,4,5,5-tetramethyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane?
The InChIKey is HSMLPKHGZNYALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H85NOS4.C56H71NOS3.2C43H45NOS4.2C42H45NS4.C26H29NO.C22H17NS2.C14H17BO2S2.C12H17BrO/c1-7-13-18-23-28-49-40-42-69-64(49)60-46-52(30-25-20-15-9-3)66(71-60)62-47-53(31-26-21-16-10-4)65(72-62)61-45-51(29-24-19-14-8-2)63(70-61)54-35-39-59-57(44-54)56-43-50(34-38-58(56)67(59)12-6)48-32-36-55(37-33-48)68-41-27-22-17-11-5;1-6-11-15-19-23-42-34-36-59-55(42)52-40-45(25-21-17-13-8-3)56(61-52)53-39-44(24-20-16-12-7-2)54(60-53)46-29-33-51-49(38-46)48-37-43(28-32-50(48)57(51)10-5)41-26-30-47(31-27-41)58-35-22-18-14-9-4;1-4-7-9-11-15-29-27-41(49-42(29)31-19-21-36-34(25-31)33-17-13-14-18-35(33)44(36)6-3)43-30(16-12-10-8-5-2)26-40(48-43)39-24-23-38(47-39)37-22-20-32(28-45)46-37;1-4-7-9-11-15-30-25-32(28-45)46-43(30)41-27-31(16-12-10-8-5-2)42(49-41)40-24-23-39(48-40)38-22-21-37(47-38)29-19-20-36-34(26-29)33-17-13-14-18-35(33)44(36)6-3;1-4-7-9-11-16-29-28-40(47-41(29)31-21-22-35-33(26-31)32-18-13-14-19-34(32)43(35)6-3)42-30(17-12-10-8-5-2)27-39(46-42)38-24-23-37(45-38)36-20-15-25-44-36;1-4-7-9-11-15-29-25-26-44-41(29)40-28-31(16-12-10-8-5-2)42(47-40)39-24-23-38(46-39)37-22-21-36(45-37)30-19-20-35-33(27-30)32-17-13-14-18-34(32)43(35)6-3;1-3-5-6-9-18-28-22-15-12-20(13-16-22)21-14-17-26-24(19-21)23-10-7-8-11-25(23)27(26)4-2;1-2-23-18-7-4-3-6-16(18)17-14-15(9-10-19(17)23)20-11-12-22(25-20)21-8-5-13-24-21;1-13(2)14(3,4)17-15(16-13)12-8-7-11(19-12)10-6-5-9-18-10;1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h32-40,42-47H,7-31,41H2,1-6H3;26-34,36-40H,6-25,35H2,1-5H3;2*13-14,17-28H,4-12,15-16H2,1-3H3;13-15,18-28H,4-12,16-17H2,1-3H3;13-14,17-28H,4-12,15-16H2,1-3H3;7-8,10-17,19H,3-6,9,18H2,1-2H3;3-14H,2H2,1H3;5-9H,1-4H3;6-9H,2-5,10H2,1H3.
What are the key properties of 1-bromo-4-hexoxybenzene;5-[5-[5-[5-(9-ethylcarbazol-3-yl)-4-hexylthiophen-2-yl]-4-hexylthiophen-2-yl]thiophen-2-yl]thiophene-2-carbaldehyde;5-[5-[5-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]-4-hexylthiophene-2-carbaldehyde;9-ethyl-3-(4-hexoxyphenyl)carbazole;9-ethyl-3-(4-hexoxyphenyl)-6-[3-hexyl-5-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-(4-hexoxyphenyl)-6-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-[3-hexyl-5-[3-hexyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-[5-[5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-(5-thiophen-2-ylthiophen-2-yl)carbazole;4,4,5,5-tetramethyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane?
1-bromo-4-hexoxybenzene;5-[5-[5-[5-(9-ethylcarbazol-3-yl)-4-hexylthiophen-2-yl]-4-hexylthiophen-2-yl]thiophen-2-yl]thiophene-2-carbaldehyde;5-[5-[5-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]-4-hexylthiophene-2-carbaldehyde;9-ethyl-3-(4-hexoxyphenyl)carbazole;9-ethyl-3-(4-hexoxyphenyl)-6-[3-hexyl-5-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-(4-hexoxyphenyl)-6-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-[3-hexyl-5-[3-hexyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-[5-[5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-(5-thiophen-2-ylthiophen-2-yl)carbazole;4,4,5,5-tetramethyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane has a molecular weight of 6011.93 g/mol, XLogP of 124.26, 139 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-hexoxybenzene;5-[5-[5-[5-(9-ethylcarbazol-3-yl)-4-hexylthiophen-2-yl]-4-hexylthiophen-2-yl]thiophen-2-yl]thiophene-2-carbaldehyde;5-[5-[5-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]-4-hexylthiophene-2-carbaldehyde;9-ethyl-3-(4-hexoxyphenyl)carbazole;9-ethyl-3-(4-hexoxyphenyl)-6-[3-hexyl-5-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-(4-hexoxyphenyl)-6-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-[3-hexyl-5-[3-hexyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-[5-[5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole;9-ethyl-3-(5-thiophen-2-ylthiophen-2-yl)carbazole;4,4,5,5-tetramethyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158574494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).