6-[3,4-dibutyl-5-[3,4-dibutyl-5-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)thiophen-2-yl]thiophen-2-yl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;11,11-dibutyl-2-[5-[5-(11,11-dibutyl-9-phenylfluoreno[3,2-b][1]benzofuran-2-yl)thiophen-2-yl]thiophen-2-yl]-9-phenylfluoreno[3,2-b][1]benzofuran;6-[3,6-dibutyl-5-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)thieno[3,2-b]thiophen-2-yl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;2-[5-(11,11-dimethyl-5,9-diphenylindeno[1,2-b]carbazol-2-yl)thieno[3,2-b]thiophen-2-yl]-11,11-dimethyl-5,9-diphenylindeno[1,2-b]carbazole

C280H222N2O10S8 — CID 160758822

IUPAC6-[3,4-dibutyl-5-[3,4-dibutyl-5-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)thiophen-2-yl]thiophen-2-yl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;11,11-dibutyl-2-[5-[5-(11,11-dibutyl-9-phenylfluoreno[3,2-b][1]benzofuran-2-yl)thiophen-2-yl]thiophen-2-yl]-9-phenylfluoreno[3,2-b][1]benzofuran;6-[3,6-dibutyl-5-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)thieno[3,2-b]thiophen-2-yl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;2-[5-(11,11-dimethyl-5,9-diphenylindeno[1,2-b]carbazol-2-yl)thieno[3,2-b]thiophen-2-yl]-11,11-dimethyl-5,9-diphenylindeno[1,2-b]carbazole
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2cc3c(cc21)c1cc(-c2cc4sc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccccc5)-c5ccc(-c6ccccc6)cc5C7(C)C)cc4s2)ccc1n3-c1ccccc1.CCCCC1(CCCC)c2cc(-c3ccccc3)ccc2-c2cc3oc4ccc(-c5ccc(-c6ccc(-c7ccc8oc9cc%10c(cc9c8c7)C(CCCC)(CCCC)c7cc(-c8ccccc8)ccc7-%10)s6)s5)cc4c3cc21.CCCCc1c(-c2ccc3oc4cc5c(cc4c3c2)oc2ccc(-c3ccccc3)cc25)sc(-c2sc(-c3ccc4oc5cc6c(cc5c4c3)oc3ccc(-c4ccccc4)cc36)c(CCCC)c2CCCC)c1CCCC.CCCCc1c(-c2ccc3oc4cc5c(cc4c3c2)oc2ccc(-c3ccccc3)cc25)sc2c(CCCC)c(-c3ccc4oc5cc6c(cc5c4c3)oc3ccc(-c4ccccc4)cc36)sc12
InChIInChI=1S/C74H66O2S2.C72H50N2S2.C72H62O4S2.C62H44O4S2/c1-5-9-35-73(36-10-6-2)61-41-49(47-19-15-13-16-20-47)23-27-53(61)55-45-67-59(43-63(55)73)57-39-51(25-29-65(57)75-67)69-31-33-71(77-69)72-34-32-70(78-72)52-26-30-66-58(40-52)60-44-64-56(46-68(60)76-66)54-28-24-50(48-21-17-14-18-22-48)42-62(54)74(64,37-11-7-3)38-12-8-4;1-71(2)59-35-45(43-17-9-5-10-18-43)25-29-51(59)53-39-65-57(37-61(53)71)55-33-47(27-31-63(55)73(65)49-21-13-7-14-22-49)67-41-69-70(75-67)42-68(76-69)48-28-32-64-56(34-48)58-38-62-54(40-66(58)74(64)50-23-15-8-16-24-50)52-30-26-46(36-60(52)72(62,3)4)44-19-11-6-12-20-44;1-5-9-23-49-51(25-11-7-3)71(77-69(49)47-29-33-63-55(37-47)59-41-65-57(39-67(59)75-63)53-35-45(27-31-61(53)73-65)43-19-15-13-16-20-43)72-52(26-12-8-4)50(24-10-6-2)70(78-72)48-30-34-64-56(38-48)60-42-66-58(40-68(60)76-64)54-36-46(28-32-62(54)74-66)44-21-17-14-18-22-44;1-3-5-17-41-59(39-21-25-53-45(29-39)49-33-55-47(31-57(49)65-53)43-27-37(19-23-51(43)63-55)35-13-9-7-10-14-35)67-62-42(18-6-4-2)60(68-61(41)62)40-22-26-54-46(30-40)50-34-56-48(32-58(50)66-54)44-28-38(20-24-52(44)64-56)36-15-11-8-12-16-36/h13-34,39-46H,5-12,35-38H2,1-4H3;5-42H,1-4H3;13-22,27-42H,5-12,23-26H2,1-4H3;7-16,19-34H,3-6,17-18H2,1-2H3
InChIKeyRXUBIGZJTRMWHY-UHFFFAOYSA-N
MW4031.40 g/mol
LogP86.70
Rot. Bonds50

About 6-[3,4-dibutyl-5-[3,4-dibutyl-5-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)thiophen-2-yl]thiophen-2-yl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;11,11-dibutyl-2-[5-[5-(11,11-dibutyl-9-phenylfluoreno[3,2-b][1]benzofuran-2-yl)thiophen-2-yl]thiophen-2-yl]-9-phenylfluoreno[3,2-b][1]benzofuran;6-[3,6-dibutyl-5-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)thieno[3,2-b]thiophen-2-yl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;2-[5-(11,11-dimethyl-5,9-diphenylindeno[1,2-b]carbazol-2-yl)thieno[3,2-b]thiophen-2-yl]-11,11-dimethyl-5,9-diphenylindeno[1,2-b]carbazole

6-[3,4-dibutyl-5-[3,4-dibutyl-5-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)thiophen-2-yl]thiophen-2-yl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;11,11-dibutyl-2-[5-[5-(11,11-dibutyl-9-phenylfluoreno[3,2-b][1]benzofuran-2-yl)thiophen-2-yl]thiophen-2-yl]-9-phenylfluoreno[3,2-b][1]benzofuran;6-[3,6-dibutyl-5-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)thieno[3,2-b]thiophen-2-yl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;2-[5-(11,11-dimethyl-5,9-diphenylindeno[1,2-b]carbazol-2-yl)thieno[3,2-b]thiophen-2-yl]-11,11-dimethyl-5,9-diphenylindeno[1,2-b]carbazole (PubChem CID 160758822) has the molecular formula C280H222N2O10S8 and a molecular weight of 4031.40 g/mol. Its IUPAC name is 6-[3,4-dibutyl-5-[3,4-dibutyl-5-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)thiophen-2-yl]thiophen-2-yl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;11,11-dibutyl-2-[5-[5-(11,11-dibutyl-9-phenylfluoreno[3,2-b][1]benzofuran-2-yl)thiophen-2-yl]thiophen-2-yl]-9-phenylfluoreno[3,2-b][1]benzofuran;6-[3,6-dibutyl-5-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)thieno[3,2-b]thiophen-2-yl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;2-[5-(11,11-dimethyl-5,9-diphenylindeno[1,2-b]carbazol-2-yl)thieno[3,2-b]thiophen-2-yl]-11,11-dimethyl-5,9-diphenylindeno[1,2-b]carbazole.

Molecular Properties

Compound Name6-[3,4-dibutyl-5-[3,4-dibutyl-5-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)thiophen-2-yl]thiophen-2-yl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;11,11-dibutyl-2-[5-[5-(11,11-dibutyl-9-phenylfluoreno[3,2-b][1]benzofuran-2-yl)thiophen-2-yl]thiophen-2-yl]-9-phenylfluoreno[3,2-b][1]benzofuran;6-[3,6-dibutyl-5-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)thieno[3,2-b]thiophen-2-yl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;2-[5-(11,11-dimethyl-5,9-diphenylindeno[1,2-b]carbazol-2-yl)thieno[3,2-b]thiophen-2-yl]-11,11-dimethyl-5,9-diphenylindeno[1,2-b]carbazole
PubChem CID160758822
Molecular FormulaC280H222N2O10S8
Molecular Weight4031.40 g/mol
Exact Mass4027.47
IUPAC Name6-[3,4-dibutyl-5-[3,4-dibutyl-5-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)thiophen-2-yl]thiophen-2-yl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;11,11-dibutyl-2-[5-[5-(11,11-dibutyl-9-phenylfluoreno[3,2-b][1]benzofuran-2-yl)thiophen-2-yl]thiophen-2-yl]-9-phenylfluoreno[3,2-b][1]benzofuran;6-[3,6-dibutyl-5-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)thieno[3,2-b]thiophen-2-yl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;2-[5-(11,11-dimethyl-5,9-diphenylindeno[1,2-b]carbazol-2-yl)thieno[3,2-b]thiophen-2-yl]-11,11-dimethyl-5,9-diphenylindeno[1,2-b]carbazole
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2cc3c(cc21)c1cc(-c2cc4sc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccccc5)-c5ccc(-c6ccccc6)cc5C7(C)C)cc4s2)ccc1n3-c1ccccc1.CCCCC1(CCCC)c2cc(-c3ccccc3)ccc2-c2cc3oc4ccc(-c5ccc(-c6ccc(-c7ccc8oc9cc%10c(cc9c8c7)C(CCCC)(CCCC)c7cc(-c8ccccc8)ccc7-%10)s6)s5)cc4c3cc21.CCCCc1c(-c2ccc3oc4cc5c(cc4c3c2)oc2ccc(-c3ccccc3)cc25)sc(-c2sc(-c3ccc4oc5cc6c(cc5c4c3)oc3ccc(-c4ccccc4)cc36)c(CCCC)c2CCCC)c1CCCC.CCCCc1c(-c2ccc3oc4cc5c(cc4c3c2)oc2ccc(-c3ccccc3)cc25)sc2c(CCCC)c(-c3ccc4oc5cc6c(cc5c4c3)oc3ccc(-c4ccccc4)cc36)sc12
InChIInChI=1S/C74H66O2S2.C72H50N2S2.C72H62O4S2.C62H44O4S2/c1-5-9-35-73(36-10-6-2)61-41-49(47-19-15-13-16-20-47)23-27-53(61)55-45-67-59(43-63(55)73)57-39-51(25-29-65(57)75-67)69-31-33-71(77-69)72-34-32-70(78-72)52-26-30-66-58(40-52)60-44-64-56(46-68(60)76-66)54-28-24-50(48-21-17-14-18-22-48)42-62(54)74(64,37-11-7-3)38-12-8-4;1-71(2)59-35-45(43-17-9-5-10-18-43)25-29-51(59)53-39-65-57(37-61(53)71)55-33-47(27-31-63(55)73(65)49-21-13-7-14-22-49)67-41-69-70(75-67)42-68(76-69)48-28-32-64-56(34-48)58-38-62-54(40-66(58)74(64)50-23-15-8-16-24-50)52-30-26-46(36-60(52)72(62,3)4)44-19-11-6-12-20-44;1-5-9-23-49-51(25-11-7-3)71(77-69(49)47-29-33-63-55(37-47)59-41-65-57(39-67(59)75-63)53-35-45(27-31-61(53)73-65)43-19-15-13-16-20-43)72-52(26-12-8-4)50(24-10-6-2)70(78-72)48-30-34-64-56(38-48)60-42-66-58(40-68(60)76-64)54-36-46(28-32-62(54)74-66)44-21-17-14-18-22-44;1-3-5-17-41-59(39-21-25-53-45(29-39)49-33-55-47(31-57(49)65-53)43-27-37(19-23-51(43)63-55)35-13-9-7-10-14-35)67-62-42(18-6-4-2)60(68-61(41)62)40-22-26-54-46(30-40)50-34-56-48(32-58(50)66-54)44-28-38(20-24-52(44)64-56)36-15-11-8-12-16-36/h13-34,39-46H,5-12,35-38H2,1-4H3;5-42H,1-4H3;13-22,27-42H,5-12,23-26H2,1-4H3;7-16,19-34H,3-6,17-18H2,1-2H3
InChIKeyRXUBIGZJTRMWHY-UHFFFAOYSA-N
XLogP86.70
TPSA141.26 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds50
Heavy Atoms300
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004031.40
LogP ≤ 586.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 6-[3,4-dibutyl-5-[3,4-dibutyl-5-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)thiophen-2-yl]thiophen-2-yl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;11,11-dibutyl-2-[5-[5-(11,11-dibutyl-9-phenylfluoreno[3,2-b][1]benzofuran-2-yl)thiophen-2-yl]thiophen-2-yl]-9-phenylfluoreno[3,2-b][1]benzofuran;6-[3,6-dibutyl-5-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)thieno[3,2-b]thiophen-2-yl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;2-[5-(11,11-dimethyl-5,9-diphenylindeno[1,2-b]carbazol-2-yl)thieno[3,2-b]thiophen-2-yl]-11,11-dimethyl-5,9-diphenylindeno[1,2-b]carbazole with MolForge

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Related Compounds

11,11-dimethyl-2-[2-(11-methylidene-5,9-diphenylindeno[1,2-b]carbazol-2-yl)thieno[3,2-b]thiophen-5-yl]-5,9-diphenylindeno[1,2-b]carbazole
CID 88882609
9-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)phenyl]-3,6-diphenylcarbazole
CID 118098891
10-[7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223734
10-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223345
2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223314
9-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole
CID 118098800
8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 134223350
3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole
CID 118099089
8-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 134223761
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenyl-6-(4-phenylphenyl)-N-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-amine
CID 58384032
N-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine;N-[4-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine;9,9-dimethyl-N,7-diphenyl-N-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]fluoren-2-amine
CID 158113731
9-[4-[9,9-dibutyl-7-(4-carbazol-9-ylphenyl)fluoren-2-yl]phenyl]-3-[3-[3-(3-methylphenyl)phenyl]phenyl]carbazole
CID 139501194

Frequently Asked Questions

What is the IUPAC name of 6-[3,4-dibutyl-5-[3,4-dibutyl-5-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)thiophen-2-yl]thiophen-2-yl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;11,11-dibutyl-2-[5-[5-(11,11-dibutyl-9-phenylfluoreno[3,2-b][1]benzofuran-2-yl)thiophen-2-yl]thiophen-2-yl]-9-phenylfluoreno[3,2-b][1]benzofuran;6-[3,6-dibutyl-5-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)thieno[3,2-b]thiophen-2-yl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;2-[5-(11,11-dimethyl-5,9-diphenylindeno[1,2-b]carbazol-2-yl)thieno[3,2-b]thiophen-2-yl]-11,11-dimethyl-5,9-diphenylindeno[1,2-b]carbazole?
The IUPAC name of 6-[3,4-dibutyl-5-[3,4-dibutyl-5-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)thiophen-2-yl]thiophen-2-yl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;11,11-dibutyl-2-[5-[5-(11,11-dibutyl-9-phenylfluoreno[3,2-b][1]benzofuran-2-yl)thiophen-2-yl]thiophen-2-yl]-9-phenylfluoreno[3,2-b][1]benzofuran;6-[3,6-dibutyl-5-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)thieno[3,2-b]thiophen-2-yl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;2-[5-(11,11-dimethyl-5,9-diphenylindeno[1,2-b]carbazol-2-yl)thieno[3,2-b]thiophen-2-yl]-11,11-dimethyl-5,9-diphenylindeno[1,2-b]carbazole (CID 160758822) is 6-[3,4-dibutyl-5-[3,4-dibutyl-5-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)thiophen-2-yl]thiophen-2-yl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;11,11-dibutyl-2-[5-[5-(11,11-dibutyl-9-phenylfluoreno[3,2-b][1]benzofuran-2-yl)thiophen-2-yl]thiophen-2-yl]-9-phenylfluoreno[3,2-b][1]benzofuran;6-[3,6-dibutyl-5-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)thieno[3,2-b]thiophen-2-yl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;2-[5-(11,11-dimethyl-5,9-diphenylindeno[1,2-b]carbazol-2-yl)thieno[3,2-b]thiophen-2-yl]-11,11-dimethyl-5,9-diphenylindeno[1,2-b]carbazole.
What is the SMILES notation for 6-[3,4-dibutyl-5-[3,4-dibutyl-5-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)thiophen-2-yl]thiophen-2-yl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;11,11-dibutyl-2-[5-[5-(11,11-dibutyl-9-phenylfluoreno[3,2-b][1]benzofuran-2-yl)thiophen-2-yl]thiophen-2-yl]-9-phenylfluoreno[3,2-b][1]benzofuran;6-[3,6-dibutyl-5-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)thieno[3,2-b]thiophen-2-yl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;2-[5-(11,11-dimethyl-5,9-diphenylindeno[1,2-b]carbazol-2-yl)thieno[3,2-b]thiophen-2-yl]-11,11-dimethyl-5,9-diphenylindeno[1,2-b]carbazole?
The canonical SMILES for 6-[3,4-dibutyl-5-[3,4-dibutyl-5-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)thiophen-2-yl]thiophen-2-yl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;11,11-dibutyl-2-[5-[5-(11,11-dibutyl-9-phenylfluoreno[3,2-b][1]benzofuran-2-yl)thiophen-2-yl]thiophen-2-yl]-9-phenylfluoreno[3,2-b][1]benzofuran;6-[3,6-dibutyl-5-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)thieno[3,2-b]thiophen-2-yl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;2-[5-(11,11-dimethyl-5,9-diphenylindeno[1,2-b]carbazol-2-yl)thieno[3,2-b]thiophen-2-yl]-11,11-dimethyl-5,9-diphenylindeno[1,2-b]carbazole is CC1(C)c2cc(-c3ccccc3)ccc2-c2cc3c(cc21)c1cc(-c2cc4sc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccccc5)-c5ccc(-c6ccccc6)cc5C7(C)C)cc4s2)ccc1n3-c1ccccc1.CCCCC1(CCCC)c2cc(-c3ccccc3)ccc2-c2cc3oc4ccc(-c5ccc(-c6ccc(-c7ccc8oc9cc%10c(cc9c8c7)C(CCCC)(CCCC)c7cc(-c8ccccc8)ccc7-%10)s6)s5)cc4c3cc21.CCCCc1c(-c2ccc3oc4cc5c(cc4c3c2)oc2ccc(-c3ccccc3)cc25)sc(-c2sc(-c3ccc4oc5cc6c(cc5c4c3)oc3ccc(-c4ccccc4)cc36)c(CCCC)c2CCCC)c1CCCC.CCCCc1c(-c2ccc3oc4cc5c(cc4c3c2)oc2ccc(-c3ccccc3)cc25)sc2c(CCCC)c(-c3ccc4oc5cc6c(cc5c4c3)oc3ccc(-c4ccccc4)cc36)sc12.
What is the InChIKey of 6-[3,4-dibutyl-5-[3,4-dibutyl-5-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)thiophen-2-yl]thiophen-2-yl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;11,11-dibutyl-2-[5-[5-(11,11-dibutyl-9-phenylfluoreno[3,2-b][1]benzofuran-2-yl)thiophen-2-yl]thiophen-2-yl]-9-phenylfluoreno[3,2-b][1]benzofuran;6-[3,6-dibutyl-5-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)thieno[3,2-b]thiophen-2-yl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;2-[5-(11,11-dimethyl-5,9-diphenylindeno[1,2-b]carbazol-2-yl)thieno[3,2-b]thiophen-2-yl]-11,11-dimethyl-5,9-diphenylindeno[1,2-b]carbazole?
The InChIKey is RXUBIGZJTRMWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H66O2S2.C72H50N2S2.C72H62O4S2.C62H44O4S2/c1-5-9-35-73(36-10-6-2)61-41-49(47-19-15-13-16-20-47)23-27-53(61)55-45-67-59(43-63(55)73)57-39-51(25-29-65(57)75-67)69-31-33-71(77-69)72-34-32-70(78-72)52-26-30-66-58(40-52)60-44-64-56(46-68(60)76-66)54-28-24-50(48-21-17-14-18-22-48)42-62(54)74(64,37-11-7-3)38-12-8-4;1-71(2)59-35-45(43-17-9-5-10-18-43)25-29-51(59)53-39-65-57(37-61(53)71)55-33-47(27-31-63(55)73(65)49-21-13-7-14-22-49)67-41-69-70(75-67)42-68(76-69)48-28-32-64-56(34-48)58-38-62-54(40-66(58)74(64)50-23-15-8-16-24-50)52-30-26-46(36-60(52)72(62,3)4)44-19-11-6-12-20-44;1-5-9-23-49-51(25-11-7-3)71(77-69(49)47-29-33-63-55(37-47)59-41-65-57(39-67(59)75-63)53-35-45(27-31-61(53)73-65)43-19-15-13-16-20-43)72-52(26-12-8-4)50(24-10-6-2)70(78-72)48-30-34-64-56(38-48)60-42-66-58(40-68(60)76-64)54-36-46(28-32-62(54)74-66)44-21-17-14-18-22-44;1-3-5-17-41-59(39-21-25-53-45(29-39)49-33-55-47(31-57(49)65-53)43-27-37(19-23-51(43)63-55)35-13-9-7-10-14-35)67-62-42(18-6-4-2)60(68-61(41)62)40-22-26-54-46(30-40)50-34-56-48(32-58(50)66-54)44-28-38(20-24-52(44)64-56)36-15-11-8-12-16-36/h13-34,39-46H,5-12,35-38H2,1-4H3;5-42H,1-4H3;13-22,27-42H,5-12,23-26H2,1-4H3;7-16,19-34H,3-6,17-18H2,1-2H3.
What are the key properties of 6-[3,4-dibutyl-5-[3,4-dibutyl-5-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)thiophen-2-yl]thiophen-2-yl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;11,11-dibutyl-2-[5-[5-(11,11-dibutyl-9-phenylfluoreno[3,2-b][1]benzofuran-2-yl)thiophen-2-yl]thiophen-2-yl]-9-phenylfluoreno[3,2-b][1]benzofuran;6-[3,6-dibutyl-5-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)thieno[3,2-b]thiophen-2-yl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;2-[5-(11,11-dimethyl-5,9-diphenylindeno[1,2-b]carbazol-2-yl)thieno[3,2-b]thiophen-2-yl]-11,11-dimethyl-5,9-diphenylindeno[1,2-b]carbazole?
6-[3,4-dibutyl-5-[3,4-dibutyl-5-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)thiophen-2-yl]thiophen-2-yl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;11,11-dibutyl-2-[5-[5-(11,11-dibutyl-9-phenylfluoreno[3,2-b][1]benzofuran-2-yl)thiophen-2-yl]thiophen-2-yl]-9-phenylfluoreno[3,2-b][1]benzofuran;6-[3,6-dibutyl-5-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)thieno[3,2-b]thiophen-2-yl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;2-[5-(11,11-dimethyl-5,9-diphenylindeno[1,2-b]carbazol-2-yl)thieno[3,2-b]thiophen-2-yl]-11,11-dimethyl-5,9-diphenylindeno[1,2-b]carbazole has a molecular weight of 4031.40 g/mol, XLogP of 86.70, 50 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,4-dibutyl-5-[3,4-dibutyl-5-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)thiophen-2-yl]thiophen-2-yl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;11,11-dibutyl-2-[5-[5-(11,11-dibutyl-9-phenylfluoreno[3,2-b][1]benzofuran-2-yl)thiophen-2-yl]thiophen-2-yl]-9-phenylfluoreno[3,2-b][1]benzofuran;6-[3,6-dibutyl-5-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)thieno[3,2-b]thiophen-2-yl]-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene;2-[5-(11,11-dimethyl-5,9-diphenylindeno[1,2-b]carbazol-2-yl)thieno[3,2-b]thiophen-2-yl]-11,11-dimethyl-5,9-diphenylindeno[1,2-b]carbazole is sourced from PubChem (CID 160758822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).