About 9-anthra[2,1-b][1]benzofuran-10-yl-3-[6-[3-(2-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole;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;9,9-dimethyl-10-(9,9'-spirobi[fluorene]-4-yl)-2-[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)carbazol-3-yl]acridine;10-(4-naphthalen-1-ylphenyl)-3-[9-(10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazol-3-yl]phenoxazine
9-anthra[2,1-b][1]benzofuran-10-yl-3-[6-[3-(2-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole;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;9,9-dimethyl-10-(9,9'-spirobi[fluorene]-4-yl)-2-[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)carbazol-3-yl]acridine;10-(4-naphthalen-1-ylphenyl)-3-[9-(10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazol-3-yl]phenoxazine (PubChem CID 162181659) has the molecular formula C325H199N7O4S4
and a molecular weight of 4394.48 g/mol. Its IUPAC name is 9-anthra[2,1-b][1]benzofuran-10-yl-3-[6-[3-(2-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole;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;9,9-dimethyl-10-(9,9'-spirobi[fluorene]-4-yl)-2-[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)carbazol-3-yl]acridine;10-(4-naphthalen-1-ylphenyl)-3-[9-(10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazol-3-yl]phenoxazine.
Frequently Asked Questions
What is the IUPAC name of 9-anthra[2,1-b][1]benzofuran-10-yl-3-[6-[3-(2-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole;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;9,9-dimethyl-10-(9,9'-spirobi[fluorene]-4-yl)-2-[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)carbazol-3-yl]acridine;10-(4-naphthalen-1-ylphenyl)-3-[9-(10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazol-3-yl]phenoxazine?
The IUPAC name of 9-anthra[2,1-b][1]benzofuran-10-yl-3-[6-[3-(2-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole;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;9,9-dimethyl-10-(9,9'-spirobi[fluorene]-4-yl)-2-[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)carbazol-3-yl]acridine;10-(4-naphthalen-1-ylphenyl)-3-[9-(10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazol-3-yl]phenoxazine (CID 162181659) is 9-anthra[2,1-b][1]benzofuran-10-yl-3-[6-[3-(2-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole;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;9,9-dimethyl-10-(9,9'-spirobi[fluorene]-4-yl)-2-[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)carbazol-3-yl]acridine;10-(4-naphthalen-1-ylphenyl)-3-[9-(10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazol-3-yl]phenoxazine.
What is the SMILES notation for 9-anthra[2,1-b][1]benzofuran-10-yl-3-[6-[3-(2-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole;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;9,9-dimethyl-10-(9,9'-spirobi[fluorene]-4-yl)-2-[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)carbazol-3-yl]acridine;10-(4-naphthalen-1-ylphenyl)-3-[9-(10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazol-3-yl]phenoxazine?
The canonical SMILES for 9-anthra[2,1-b][1]benzofuran-10-yl-3-[6-[3-(2-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole;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;9,9-dimethyl-10-(9,9'-spirobi[fluorene]-4-yl)-2-[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)carbazol-3-yl]acridine;10-(4-naphthalen-1-ylphenyl)-3-[9-(10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazol-3-yl]phenoxazine is CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4cc5cc6c(cc5cc4c3)sc3ccccc36)ccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.CC1(C)c2ccccc2N(c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4cc5cc6c(cc5cc4c3)sc3ccccc36)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.c1ccc2c(c1)Oc1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4cc5cc6c(cc5cc4c3)oc3ccccc36)ccc1N2c1ccc(-c2cccc3ccccc23)cc1.
What is the InChIKey of 9-anthra[2,1-b][1]benzofuran-10-yl-3-[6-[3-(2-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole;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;9,9-dimethyl-10-(9,9'-spirobi[fluorene]-4-yl)-2-[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)carbazol-3-yl]acridine;10-(4-naphthalen-1-ylphenyl)-3-[9-(10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazol-3-yl]phenoxazine?
The InChIKey is ZPCKCKDLCDUPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H46N2S.C67H43NS.C64H37NOS.C62H37NOS.C60H36N2O2/c1-71(2)60-24-11-13-27-65(60)74(67-28-15-25-61-70(67)54-20-5-10-23-59(54)72(61)57-21-8-3-16-50(57)51-17-4-9-22-58(51)72)66-35-32-45(41-62(66)71)44-31-34-64-55(39-44)52-18-6-12-26-63(52)73(64)49-33-30-43-36-47-40-56-53-19-7-14-29-68(53)75-69(56)42-48(47)37-46(43)38-49;1-67(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;1-2-12-38(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;1-2-12-47-37(10-1)11-9-15-48(47)38-20-25-45(26-21-38)61-55-17-6-8-19-58(55)64-60-35-41(24-29-56(60)61)40-23-28-54-51(33-40)49-13-3-5-16-53(49)62(54)46-27-22-39-30-43-34-52-50-14-4-7-18-57(50)63-59(52)36-44(43)31-42(39)32-46/h3-42H,1-2H3;3-39H,1-2H3;1-37H;1-37H;1-36H.
What are the key properties of 9-anthra[2,1-b][1]benzofuran-10-yl-3-[6-[3-(2-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole;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;9,9-dimethyl-10-(9,9'-spirobi[fluorene]-4-yl)-2-[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)carbazol-3-yl]acridine;10-(4-naphthalen-1-ylphenyl)-3-[9-(10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazol-3-yl]phenoxazine?
9-anthra[2,1-b][1]benzofuran-10-yl-3-[6-[3-(2-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole;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;9,9-dimethyl-10-(9,9'-spirobi[fluorene]-4-yl)-2-[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)carbazol-3-yl]acridine;10-(4-naphthalen-1-ylphenyl)-3-[9-(10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazol-3-yl]phenoxazine has a molecular weight of 4394.48 g/mol, XLogP of 92.39, 20 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 9-anthra[2,1-b][1]benzofuran-10-yl-3-[6-[3-(2-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole;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;9,9-dimethyl-10-(9,9'-spirobi[fluorene]-4-yl)-2-[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)carbazol-3-yl]acridine;10-(4-naphthalen-1-ylphenyl)-3-[9-(10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-17-yl)carbazol-3-yl]phenoxazine is sourced from PubChem (CID 162181659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).