9-anthra[2,1-b][1]benzofuran-10-yl-3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazole;9-anthra[2,1-b][1]benzofuran-10-yl-3-[6-[3-(2-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole;2-(9-anthra[2,1-b][1]benzothiol-11-ylcarbazol-3-yl)-5-isoquinolin-1-yl-10,10-diphenylbenzo[b][1,4]benzazasiline;9-anthra[1,2-b][1]benzothiol-2-yl-3-[8-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]carbazole;3-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-9-(10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazole;3-naphthalen-2-yl-9-phenyl-6-[9-(10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-18-yl)carbazol-3-yl]carbazole

C374H229N9O3S5Si2 — CID 158298904

IUPAC9-anthra[2,1-b][1]benzofuran-10-yl-3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazole;9-anthra[2,1-b][1]benzofuran-10-yl-3-[6-[3-(2-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole;2-(9-anthra[2,1-b][1]benzothiol-11-ylcarbazol-3-yl)-5-isoquinolin-1-yl-10,10-diphenylbenzo[b][1,4]benzazasiline;9-anthra[1,2-b][1]benzothiol-2-yl-3-[8-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]carbazole;3-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-9-(10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazole;3-naphthalen-2-yl-9-phenyl-6-[9-(10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-18-yl)carbazol-3-yl]carbazole
SMILESCC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4cc5cc6c(cc5cc4c3)sc3ccccc36)ccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.c1ccc(-c2c3ccccc3c(-c3ccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7cc8ccc9c%10ccccc%10sc9c8cc7c6)cc5c4c3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2cccc(-c3cccc4c3sc3ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6cc7c(ccc8oc9ccccc9c87)cc6c5)cc34)c2)cc1.c1ccc(-n2c3ccc(-c4ccc5ccccc5c4)cc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5cc6cc7sc8ccccc8c7cc6cc5c4)ccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5cc6c(ccc7oc8ccccc8c76)cc5c4)cc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3N(c3nccc4ccccc34)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5cc6ccc7sc8ccccc8c7c6cc5c4)cc32)cc1
InChIInChI=1S/C67H43NS.C65H41N3SSi.C64H37NOS.C62H37NOS.C60H36N2S.C56H35NOSi/c1-67(2)59-37-43(25-29-49(59)50-30-26-44(38-60(50)67)66-55-20-8-6-18-53(55)65(40-14-4-3-5-15-40)54-19-7-9-21-56(54)66)42-27-31-62-57(35-42)51-16-10-12-22-61(51)68(62)48-28-24-41-32-46-36-58-52-17-11-13-23-63(52)69-64(58)39-47(46)33-45(41)34-48;1-3-16-49(17-4-1)70(50-18-5-2-6-19-50)62-26-14-12-24-58(62)68(65-51-20-8-7-15-42(51)35-36-66-65)59-33-29-45(41-63(59)70)44-28-32-57-55(39-44)52-21-9-11-23-56(52)67(57)48-31-27-43-37-46-30-34-61-64(54(46)40-47(43)38-48)53-22-10-13-25-60(53)69-61;1-2-12-38(13-3-1)62-48-16-4-6-18-50(48)63(51-19-7-5-17-49(51)62)43-26-31-60-56(36-43)55-35-41(25-30-59(55)66-60)40-24-29-58-54(34-40)46-14-8-10-20-57(46)65(58)45-27-22-39-32-42-23-28-52-47-15-9-11-21-61(47)67-64(52)53(42)37-44(39)33-45;1-2-12-38(13-3-1)47-16-4-5-17-48(47)42-14-10-15-43(32-42)49-20-11-21-51-55-37-40(27-31-60(55)65-62(49)51)39-25-29-57-54(36-39)50-18-6-8-22-56(50)63(57)46-28-24-41-35-53-44(33-45(41)34-46)26-30-59-61(53)52-19-7-9-23-58(52)64-59;1-2-12-47(13-3-1)61-57-26-21-41(39-19-18-37-10-4-5-11-38(37)28-39)33-52(57)53-34-43(23-27-58(53)61)42-22-25-56-51(32-42)49-14-6-8-16-55(49)62(56)48-24-20-40-29-46-36-60-54(35-45(46)30-44(40)31-48)50-15-7-9-17-59(50)63-60;1-3-13-42(14-4-1)59(43-15-5-2-6-16-43)54-22-12-9-18-45(54)46-28-24-38(35-55(46)59)36-25-29-51-49(34-36)44-17-7-10-20-50(44)57(51)41-27-23-37-33-48-39(31-40(37)32-41)26-30-53-56(48)47-19-8-11-21-52(47)58-53/h3-39H,1-2H3;1-41H;1-37H;1-37H;1-36H;1-35H
InChIKeyGMGIIYHSUYNSSC-UHFFFAOYSA-N
MW5113.51 g/mol
LogP99.65
Rot. Bonds26

About 9-anthra[2,1-b][1]benzofuran-10-yl-3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazole;9-anthra[2,1-b][1]benzofuran-10-yl-3-[6-[3-(2-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole;2-(9-anthra[2,1-b][1]benzothiol-11-ylcarbazol-3-yl)-5-isoquinolin-1-yl-10,10-diphenylbenzo[b][1,4]benzazasiline;9-anthra[1,2-b][1]benzothiol-2-yl-3-[8-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]carbazole;3-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-9-(10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazole;3-naphthalen-2-yl-9-phenyl-6-[9-(10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-18-yl)carbazol-3-yl]carbazole

9-anthra[2,1-b][1]benzofuran-10-yl-3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazole;9-anthra[2,1-b][1]benzofuran-10-yl-3-[6-[3-(2-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole;2-(9-anthra[2,1-b][1]benzothiol-11-ylcarbazol-3-yl)-5-isoquinolin-1-yl-10,10-diphenylbenzo[b][1,4]benzazasiline;9-anthra[1,2-b][1]benzothiol-2-yl-3-[8-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]carbazole;3-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-9-(10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazole;3-naphthalen-2-yl-9-phenyl-6-[9-(10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-18-yl)carbazol-3-yl]carbazole (PubChem CID 158298904) has the molecular formula C374H229N9O3S5Si2 and a molecular weight of 5113.51 g/mol. Its IUPAC name is 9-anthra[2,1-b][1]benzofuran-10-yl-3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazole;9-anthra[2,1-b][1]benzofuran-10-yl-3-[6-[3-(2-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole;2-(9-anthra[2,1-b][1]benzothiol-11-ylcarbazol-3-yl)-5-isoquinolin-1-yl-10,10-diphenylbenzo[b][1,4]benzazasiline;9-anthra[1,2-b][1]benzothiol-2-yl-3-[8-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]carbazole;3-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-9-(10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazole;3-naphthalen-2-yl-9-phenyl-6-[9-(10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-18-yl)carbazol-3-yl]carbazole.

Molecular Properties

Compound Name9-anthra[2,1-b][1]benzofuran-10-yl-3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazole;9-anthra[2,1-b][1]benzofuran-10-yl-3-[6-[3-(2-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole;2-(9-anthra[2,1-b][1]benzothiol-11-ylcarbazol-3-yl)-5-isoquinolin-1-yl-10,10-diphenylbenzo[b][1,4]benzazasiline;9-anthra[1,2-b][1]benzothiol-2-yl-3-[8-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]carbazole;3-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-9-(10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazole;3-naphthalen-2-yl-9-phenyl-6-[9-(10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-18-yl)carbazol-3-yl]carbazole
PubChem CID158298904
Molecular FormulaC374H229N9O3S5Si2
Molecular Weight5113.51 g/mol
Exact Mass5108.62
IUPAC Name9-anthra[2,1-b][1]benzofuran-10-yl-3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazole;9-anthra[2,1-b][1]benzofuran-10-yl-3-[6-[3-(2-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole;2-(9-anthra[2,1-b][1]benzothiol-11-ylcarbazol-3-yl)-5-isoquinolin-1-yl-10,10-diphenylbenzo[b][1,4]benzazasiline;9-anthra[1,2-b][1]benzothiol-2-yl-3-[8-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]carbazole;3-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-9-(10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazole;3-naphthalen-2-yl-9-phenyl-6-[9-(10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-18-yl)carbazol-3-yl]carbazole
SMILESCC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4cc5cc6c(cc5cc4c3)sc3ccccc36)ccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.c1ccc(-c2c3ccccc3c(-c3ccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7cc8ccc9c%10ccccc%10sc9c8cc7c6)cc5c4c3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2cccc(-c3cccc4c3sc3ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6cc7c(ccc8oc9ccccc9c87)cc6c5)cc34)c2)cc1.c1ccc(-n2c3ccc(-c4ccc5ccccc5c4)cc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5cc6cc7sc8ccccc8c7cc6cc5c4)ccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5cc6c(ccc7oc8ccccc8c76)cc5c4)cc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3N(c3nccc4ccccc34)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5cc6ccc7sc8ccccc8c7c6cc5c4)cc32)cc1
InChIInChI=1S/C67H43NS.C65H41N3SSi.C64H37NOS.C62H37NOS.C60H36N2S.C56H35NOSi/c1-67(2)59-37-43(25-29-49(59)50-30-26-44(38-60(50)67)66-55-20-8-6-18-53(55)65(40-14-4-3-5-15-40)54-19-7-9-21-56(54)66)42-27-31-62-57(35-42)51-16-10-12-22-61(51)68(62)48-28-24-41-32-46-36-58-52-17-11-13-23-63(52)69-64(58)39-47(46)33-45(41)34-48;1-3-16-49(17-4-1)70(50-18-5-2-6-19-50)62-26-14-12-24-58(62)68(65-51-20-8-7-15-42(51)35-36-66-65)59-33-29-45(41-63(59)70)44-28-32-57-55(39-44)52-21-9-11-23-56(52)67(57)48-31-27-43-37-46-30-34-61-64(54(46)40-47(43)38-48)53-22-10-13-25-60(53)69-61;1-2-12-38(13-3-1)62-48-16-4-6-18-50(48)63(51-19-7-5-17-49(51)62)43-26-31-60-56(36-43)55-35-41(25-30-59(55)66-60)40-24-29-58-54(34-40)46-14-8-10-20-57(46)65(58)45-27-22-39-32-42-23-28-52-47-15-9-11-21-61(47)67-64(52)53(42)37-44(39)33-45;1-2-12-38(13-3-1)47-16-4-5-17-48(47)42-14-10-15-43(32-42)49-20-11-21-51-55-37-40(27-31-60(55)65-62(49)51)39-25-29-57-54(36-39)50-18-6-8-22-56(50)63(57)46-28-24-41-35-53-44(33-45(41)34-46)26-30-59-61(53)52-19-7-9-23-58(52)64-59;1-2-12-47(13-3-1)61-57-26-21-41(39-19-18-37-10-4-5-11-38(37)28-39)33-52(57)53-34-43(23-27-58(53)61)42-22-25-56-51(32-42)49-14-6-8-16-55(49)62(56)48-24-20-40-29-46-36-60-54(35-45(46)30-44(40)31-48)50-15-7-9-17-59(50)63-60;1-3-13-42(14-4-1)59(43-15-5-2-6-16-43)54-22-12-9-18-45(54)46-28-24-38(35-55(46)59)36-25-29-51-49(34-36)44-17-7-10-20-50(44)57(51)41-27-23-37-33-48-39(31-40(37)32-41)26-30-53-56(48)47-19-8-11-21-52(47)58-53/h3-39H,1-2H3;1-41H;1-37H;1-37H;1-36H;1-35H
InChIKeyGMGIIYHSUYNSSC-UHFFFAOYSA-N
XLogP99.65
TPSA90.06 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds26
Heavy Atoms393
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005113.51
LogP ≤ 599.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 9-anthra[2,1-b][1]benzofuran-10-yl-3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazole;9-anthra[2,1-b][1]benzofuran-10-yl-3-[6-[3-(2-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole;2-(9-anthra[2,1-b][1]benzothiol-11-ylcarbazol-3-yl)-5-isoquinolin-1-yl-10,10-diphenylbenzo[b][1,4]benzazasiline;9-anthra[1,2-b][1]benzothiol-2-yl-3-[8-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]carbazole;3-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-9-(10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazole;3-naphthalen-2-yl-9-phenyl-6-[9-(10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-18-yl)carbazol-3-yl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-anthra[2,1-b][1]benzofuran-10-yl-3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazole;9-anthra[2,1-b][1]benzofuran-10-yl-3-[6-[3-(2-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole;2-(9-anthra[2,1-b][1]benzothiol-11-ylcarbazol-3-yl)-5-isoquinolin-1-yl-10,10-diphenylbenzo[b][1,4]benzazasiline;9-anthra[1,2-b][1]benzothiol-2-yl-3-[8-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]carbazole;3-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-9-(10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazole;3-naphthalen-2-yl-9-phenyl-6-[9-(10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-18-yl)carbazol-3-yl]carbazole?
The IUPAC name of 9-anthra[2,1-b][1]benzofuran-10-yl-3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazole;9-anthra[2,1-b][1]benzofuran-10-yl-3-[6-[3-(2-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole;2-(9-anthra[2,1-b][1]benzothiol-11-ylcarbazol-3-yl)-5-isoquinolin-1-yl-10,10-diphenylbenzo[b][1,4]benzazasiline;9-anthra[1,2-b][1]benzothiol-2-yl-3-[8-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]carbazole;3-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-9-(10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazole;3-naphthalen-2-yl-9-phenyl-6-[9-(10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-18-yl)carbazol-3-yl]carbazole (CID 158298904) is 9-anthra[2,1-b][1]benzofuran-10-yl-3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazole;9-anthra[2,1-b][1]benzofuran-10-yl-3-[6-[3-(2-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole;2-(9-anthra[2,1-b][1]benzothiol-11-ylcarbazol-3-yl)-5-isoquinolin-1-yl-10,10-diphenylbenzo[b][1,4]benzazasiline;9-anthra[1,2-b][1]benzothiol-2-yl-3-[8-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]carbazole;3-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-9-(10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazole;3-naphthalen-2-yl-9-phenyl-6-[9-(10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-18-yl)carbazol-3-yl]carbazole.
What is the SMILES notation for 9-anthra[2,1-b][1]benzofuran-10-yl-3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazole;9-anthra[2,1-b][1]benzofuran-10-yl-3-[6-[3-(2-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole;2-(9-anthra[2,1-b][1]benzothiol-11-ylcarbazol-3-yl)-5-isoquinolin-1-yl-10,10-diphenylbenzo[b][1,4]benzazasiline;9-anthra[1,2-b][1]benzothiol-2-yl-3-[8-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]carbazole;3-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-9-(10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazole;3-naphthalen-2-yl-9-phenyl-6-[9-(10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-18-yl)carbazol-3-yl]carbazole?
The canonical SMILES for 9-anthra[2,1-b][1]benzofuran-10-yl-3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazole;9-anthra[2,1-b][1]benzofuran-10-yl-3-[6-[3-(2-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole;2-(9-anthra[2,1-b][1]benzothiol-11-ylcarbazol-3-yl)-5-isoquinolin-1-yl-10,10-diphenylbenzo[b][1,4]benzazasiline;9-anthra[1,2-b][1]benzothiol-2-yl-3-[8-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]carbazole;3-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-9-(10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazole;3-naphthalen-2-yl-9-phenyl-6-[9-(10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-18-yl)carbazol-3-yl]carbazole is CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4cc5cc6c(cc5cc4c3)sc3ccccc36)ccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.c1ccc(-c2c3ccccc3c(-c3ccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7cc8ccc9c%10ccccc%10sc9c8cc7c6)cc5c4c3)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2cccc(-c3cccc4c3sc3ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6cc7c(ccc8oc9ccccc9c87)cc6c5)cc34)c2)cc1.c1ccc(-n2c3ccc(-c4ccc5ccccc5c4)cc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5cc6cc7sc8ccccc8c7cc6cc5c4)ccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5cc6c(ccc7oc8ccccc8c76)cc5c4)cc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3N(c3nccc4ccccc34)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5cc6ccc7sc8ccccc8c7c6cc5c4)cc32)cc1.
What is the InChIKey of 9-anthra[2,1-b][1]benzofuran-10-yl-3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazole;9-anthra[2,1-b][1]benzofuran-10-yl-3-[6-[3-(2-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole;2-(9-anthra[2,1-b][1]benzothiol-11-ylcarbazol-3-yl)-5-isoquinolin-1-yl-10,10-diphenylbenzo[b][1,4]benzazasiline;9-anthra[1,2-b][1]benzothiol-2-yl-3-[8-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]carbazole;3-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-9-(10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazole;3-naphthalen-2-yl-9-phenyl-6-[9-(10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-18-yl)carbazol-3-yl]carbazole?
The InChIKey is GMGIIYHSUYNSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43NS.C65H41N3SSi.C64H37NOS.C62H37NOS.C60H36N2S.C56H35NOSi/c1-67(2)59-37-43(25-29-49(59)50-30-26-44(38-60(50)67)66-55-20-8-6-18-53(55)65(40-14-4-3-5-15-40)54-19-7-9-21-56(54)66)42-27-31-62-57(35-42)51-16-10-12-22-61(51)68(62)48-28-24-41-32-46-36-58-52-17-11-13-23-63(52)69-64(58)39-47(46)33-45(41)34-48;1-3-16-49(17-4-1)70(50-18-5-2-6-19-50)62-26-14-12-24-58(62)68(65-51-20-8-7-15-42(51)35-36-66-65)59-33-29-45(41-63(59)70)44-28-32-57-55(39-44)52-21-9-11-23-56(52)67(57)48-31-27-43-37-46-30-34-61-64(54(46)40-47(43)38-48)53-22-10-13-25-60(53)69-61;1-2-12-38(13-3-1)62-48-16-4-6-18-50(48)63(51-19-7-5-17-49(51)62)43-26-31-60-56(36-43)55-35-41(25-30-59(55)66-60)40-24-29-58-54(34-40)46-14-8-10-20-57(46)65(58)45-27-22-39-32-42-23-28-52-47-15-9-11-21-61(47)67-64(52)53(42)37-44(39)33-45;1-2-12-38(13-3-1)47-16-4-5-17-48(47)42-14-10-15-43(32-42)49-20-11-21-51-55-37-40(27-31-60(55)65-62(49)51)39-25-29-57-54(36-39)50-18-6-8-22-56(50)63(57)46-28-24-41-35-53-44(33-45(41)34-46)26-30-59-61(53)52-19-7-9-23-58(52)64-59;1-2-12-47(13-3-1)61-57-26-21-41(39-19-18-37-10-4-5-11-38(37)28-39)33-52(57)53-34-43(23-27-58(53)61)42-22-25-56-51(32-42)49-14-6-8-16-55(49)62(56)48-24-20-40-29-46-36-60-54(35-45(46)30-44(40)31-48)50-15-7-9-17-59(50)63-60;1-3-13-42(14-4-1)59(43-15-5-2-6-16-43)54-22-12-9-18-45(54)46-28-24-38(35-55(46)59)36-25-29-51-49(34-36)44-17-7-10-20-50(44)57(51)41-27-23-37-33-48-39(31-40(37)32-41)26-30-53-56(48)47-19-8-11-21-52(47)58-53/h3-39H,1-2H3;1-41H;1-37H;1-37H;1-36H;1-35H.
What are the key properties of 9-anthra[2,1-b][1]benzofuran-10-yl-3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazole;9-anthra[2,1-b][1]benzofuran-10-yl-3-[6-[3-(2-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole;2-(9-anthra[2,1-b][1]benzothiol-11-ylcarbazol-3-yl)-5-isoquinolin-1-yl-10,10-diphenylbenzo[b][1,4]benzazasiline;9-anthra[1,2-b][1]benzothiol-2-yl-3-[8-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]carbazole;3-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-9-(10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazole;3-naphthalen-2-yl-9-phenyl-6-[9-(10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-18-yl)carbazol-3-yl]carbazole?
9-anthra[2,1-b][1]benzofuran-10-yl-3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazole;9-anthra[2,1-b][1]benzofuran-10-yl-3-[6-[3-(2-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole;2-(9-anthra[2,1-b][1]benzothiol-11-ylcarbazol-3-yl)-5-isoquinolin-1-yl-10,10-diphenylbenzo[b][1,4]benzazasiline;9-anthra[1,2-b][1]benzothiol-2-yl-3-[8-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]carbazole;3-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-9-(10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazole;3-naphthalen-2-yl-9-phenyl-6-[9-(10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-18-yl)carbazol-3-yl]carbazole has a molecular weight of 5113.51 g/mol, XLogP of 99.65, 26 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 9-anthra[2,1-b][1]benzofuran-10-yl-3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazole;9-anthra[2,1-b][1]benzofuran-10-yl-3-[6-[3-(2-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole;2-(9-anthra[2,1-b][1]benzothiol-11-ylcarbazol-3-yl)-5-isoquinolin-1-yl-10,10-diphenylbenzo[b][1,4]benzazasiline;9-anthra[1,2-b][1]benzothiol-2-yl-3-[8-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]carbazole;3-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-9-(10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazole;3-naphthalen-2-yl-9-phenyl-6-[9-(10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-18-yl)carbazol-3-yl]carbazole is sourced from PubChem (CID 158298904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).