[8-(9-dibenzothiophen-4-ylcarbazol-1-yl)-4-(N-phenylanilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]-8-(9,9-dimethylfluoren-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9,9-dimethylfluoren-1-yl)-4-(N-phenylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-phenylanilino)-8-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9-phenylcarbazol-1-yl)-4-(N-(4-phenylphenyl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-(4-phenylphenyl)anilino)-8-(9-pyridin-3-ylcarbazol-1-yl)dibenzofuran-2-yl] trifluoromethanesulfonate

C281H177F18N11O20S13 — CID 161006684

IUPAC[8-(9-dibenzothiophen-4-ylcarbazol-1-yl)-4-(N-phenylanilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]-8-(9,9-dimethylfluoren-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9,9-dimethylfluoren-1-yl)-4-(N-phenylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-phenylanilino)-8-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9-phenylcarbazol-1-yl)-4-(N-(4-phenylphenyl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-(4-phenylphenyl)anilino)-8-(9-pyridin-3-ylcarbazol-1-yl)dibenzofuran-2-yl] trifluoromethanesulfonate
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc4sc5c(N(c6ccc7c(c6)sc6ccccc67)c6ccc7sc8ccccc8c7c6)cc(OS(=O)(=O)C(F)(F)F)cc5c4c3)c21.CC1(C)c2ccccc2-c2cccc(-c3ccc4sc5c(N(c6ccccc6)c6ccccc6)cc(OS(=O)(=O)C(F)(F)F)cc5c4c3)c21.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c2oc3ccc(-c4cccc5c6ccccc6n(-c6cccnc6)c45)cc3c2c1)C(F)(F)F.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c2sc3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3c2c1)C(F)(F)F.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccccc2)c2oc3ccc(-c4cccc5c6ccccc6n(-c6cccc7c6sc6ccccc67)c45)cc3c2c1)C(F)(F)F.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccccc2)c2sc3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3c2c1)C(F)(F)F
InChIInChI=1S/C52H32F3NO3S4.C49H29F3N2O4S2.C49H31F3N2O3S2.C48H30F3N3O4S.C43H27F3N2O3S2.C40H28F3NO3S2/c1-51(2)42-15-6-3-10-34(42)38-14-9-13-33(49(38)51)29-18-22-47-39(24-29)41-27-32(59-63(57,58)52(53,54)55)28-43(50(41)62-47)56(30-20-23-46-40(25-30)36-12-5-8-17-45(36)60-46)31-19-21-37-35-11-4-7-16-44(35)61-48(37)26-31;50-49(51,52)60(55,56)58-33-28-40-39-27-30(25-26-44(39)57-47(40)43(29-33)53(31-13-3-1-4-14-31)32-15-5-2-6-16-32)34-19-11-20-37-35-17-7-9-22-41(35)54(46(34)37)42-23-12-21-38-36-18-8-10-24-45(36)59-48(38)42;50-49(51,52)59(55,56)57-38-30-43-42-29-34(39-20-12-21-41-40-19-10-11-22-44(40)54(47(39)41)36-17-8-3-9-18-36)25-28-46(42)58-48(43)45(31-38)53(35-15-6-2-7-16-35)37-26-23-33(24-27-37)32-13-4-1-5-14-32;49-48(50,51)59(55,56)58-37-28-42-41-27-33(38-17-9-18-40-39-16-7-8-19-43(39)54(46(38)40)36-15-10-26-52-30-36)22-25-45(41)57-47(42)44(29-37)53(34-13-5-2-6-14-34)35-23-20-32(21-24-35)31-11-3-1-4-12-31;44-43(45,46)53(49,50)51-32-26-37-36-25-28(33-20-12-21-35-34-19-10-11-22-38(34)48(41(33)35)31-17-8-3-9-18-31)23-24-40(36)52-42(37)39(27-32)47(29-13-4-1-5-14-29)30-15-6-2-7-16-30;1-39(2)34-19-10-9-16-30(34)31-18-11-17-29(37(31)39)25-20-21-36-32(22-25)33-23-28(47-49(45,46)40(41,42)43)24-35(38(33)48-36)44(26-12-5-3-6-13-26)27-14-7-4-8-15-27/h3-28H,1-2H3;1-29H;1-31H;1-30H;1-27H;3-24H,1-2H3
InChIKeyTWPAKHHILAGZSQ-UHFFFAOYSA-N
MW4786.40 g/mol
LogP82.41
Rot. Bonds42

About [8-(9-dibenzothiophen-4-ylcarbazol-1-yl)-4-(N-phenylanilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]-8-(9,9-dimethylfluoren-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9,9-dimethylfluoren-1-yl)-4-(N-phenylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-phenylanilino)-8-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9-phenylcarbazol-1-yl)-4-(N-(4-phenylphenyl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-(4-phenylphenyl)anilino)-8-(9-pyridin-3-ylcarbazol-1-yl)dibenzofuran-2-yl] trifluoromethanesulfonate

[8-(9-dibenzothiophen-4-ylcarbazol-1-yl)-4-(N-phenylanilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]-8-(9,9-dimethylfluoren-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9,9-dimethylfluoren-1-yl)-4-(N-phenylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-phenylanilino)-8-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9-phenylcarbazol-1-yl)-4-(N-(4-phenylphenyl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-(4-phenylphenyl)anilino)-8-(9-pyridin-3-ylcarbazol-1-yl)dibenzofuran-2-yl] trifluoromethanesulfonate (PubChem CID 161006684) has the molecular formula C281H177F18N11O20S13 and a molecular weight of 4786.40 g/mol. Its IUPAC name is [8-(9-dibenzothiophen-4-ylcarbazol-1-yl)-4-(N-phenylanilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]-8-(9,9-dimethylfluoren-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9,9-dimethylfluoren-1-yl)-4-(N-phenylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-phenylanilino)-8-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9-phenylcarbazol-1-yl)-4-(N-(4-phenylphenyl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-(4-phenylphenyl)anilino)-8-(9-pyridin-3-ylcarbazol-1-yl)dibenzofuran-2-yl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[8-(9-dibenzothiophen-4-ylcarbazol-1-yl)-4-(N-phenylanilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]-8-(9,9-dimethylfluoren-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9,9-dimethylfluoren-1-yl)-4-(N-phenylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-phenylanilino)-8-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9-phenylcarbazol-1-yl)-4-(N-(4-phenylphenyl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-(4-phenylphenyl)anilino)-8-(9-pyridin-3-ylcarbazol-1-yl)dibenzofuran-2-yl] trifluoromethanesulfonate
PubChem CID161006684
Molecular FormulaC281H177F18N11O20S13
Molecular Weight4786.40 g/mol
Exact Mass4781.93
IUPAC Name[8-(9-dibenzothiophen-4-ylcarbazol-1-yl)-4-(N-phenylanilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]-8-(9,9-dimethylfluoren-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9,9-dimethylfluoren-1-yl)-4-(N-phenylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-phenylanilino)-8-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9-phenylcarbazol-1-yl)-4-(N-(4-phenylphenyl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-(4-phenylphenyl)anilino)-8-(9-pyridin-3-ylcarbazol-1-yl)dibenzofuran-2-yl] trifluoromethanesulfonate
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc4sc5c(N(c6ccc7c(c6)sc6ccccc67)c6ccc7sc8ccccc8c7c6)cc(OS(=O)(=O)C(F)(F)F)cc5c4c3)c21.CC1(C)c2ccccc2-c2cccc(-c3ccc4sc5c(N(c6ccccc6)c6ccccc6)cc(OS(=O)(=O)C(F)(F)F)cc5c4c3)c21.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c2oc3ccc(-c4cccc5c6ccccc6n(-c6cccnc6)c45)cc3c2c1)C(F)(F)F.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c2sc3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3c2c1)C(F)(F)F.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccccc2)c2oc3ccc(-c4cccc5c6ccccc6n(-c6cccc7c6sc6ccccc67)c45)cc3c2c1)C(F)(F)F.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccccc2)c2sc3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3c2c1)C(F)(F)F
InChIInChI=1S/C52H32F3NO3S4.C49H29F3N2O4S2.C49H31F3N2O3S2.C48H30F3N3O4S.C43H27F3N2O3S2.C40H28F3NO3S2/c1-51(2)42-15-6-3-10-34(42)38-14-9-13-33(49(38)51)29-18-22-47-39(24-29)41-27-32(59-63(57,58)52(53,54)55)28-43(50(41)62-47)56(30-20-23-46-40(25-30)36-12-5-8-17-45(36)60-46)31-19-21-37-35-11-4-7-16-44(35)61-48(37)26-31;50-49(51,52)60(55,56)58-33-28-40-39-27-30(25-26-44(39)57-47(40)43(29-33)53(31-13-3-1-4-14-31)32-15-5-2-6-16-32)34-19-11-20-37-35-17-7-9-22-41(35)54(46(34)37)42-23-12-21-38-36-18-8-10-24-45(36)59-48(38)42;50-49(51,52)59(55,56)57-38-30-43-42-29-34(39-20-12-21-41-40-19-10-11-22-44(40)54(47(39)41)36-17-8-3-9-18-36)25-28-46(42)58-48(43)45(31-38)53(35-15-6-2-7-16-35)37-26-23-33(24-27-37)32-13-4-1-5-14-32;49-48(50,51)59(55,56)58-37-28-42-41-27-33(38-17-9-18-40-39-16-7-8-19-43(39)54(46(38)40)36-15-10-26-52-30-36)22-25-45(41)57-47(42)44(29-37)53(34-13-5-2-6-14-34)35-23-20-32(21-24-35)31-11-3-1-4-12-31;44-43(45,46)53(49,50)51-32-26-37-36-25-28(33-20-12-21-35-34-19-10-11-22-38(34)48(41(33)35)31-17-8-3-9-18-31)23-24-40(36)52-42(37)39(27-32)47(29-13-4-1-5-14-29)30-15-6-2-7-16-30;1-39(2)34-19-10-9-16-30(34)31-18-11-17-29(37(31)39)25-20-21-36-32(22-25)33-23-28(47-49(45,46)40(41,42)43)24-35(38(33)48-36)44(26-12-5-3-6-13-26)27-14-7-4-8-15-27/h3-28H,1-2H3;1-29H;1-31H;1-30H;1-27H;3-24H,1-2H3
InChIKeyTWPAKHHILAGZSQ-UHFFFAOYSA-N
XLogP82.41
TPSA338.55 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds42
Heavy Atoms343
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004786.40
LogP ≤ 582.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Analyze [8-(9-dibenzothiophen-4-ylcarbazol-1-yl)-4-(N-phenylanilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]-8-(9,9-dimethylfluoren-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9,9-dimethylfluoren-1-yl)-4-(N-phenylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-phenylanilino)-8-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9-phenylcarbazol-1-yl)-4-(N-(4-phenylphenyl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-(4-phenylphenyl)anilino)-8-(9-pyridin-3-ylcarbazol-1-yl)dibenzofuran-2-yl] trifluoromethanesulfonate with MolForge

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Related Compounds

[8-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)-4-(N-(9-phenylcarbazol-3-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-(N-phenylanilino)-8-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9-phenylcarbazol-1-yl)-4-(N-(4-phenylphenyl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate
CID 157291177
[4-[4a,9b-dihydrodibenzothiophen-3-yl(dibenzothiophen-2-yl)amino]-8-(9,9-dimethylfluoren-3-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9-dibenzothiophen-4-ylcarbazol-3-yl)-4-(N-phenylanilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[8-(9,9-dimethylfluoren-3-yl)-4-(N-(9,9-dimethylfluoren-3-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[8-(9,9-dimethylfluoren-3-yl)-4-(N-phenylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9-methyl-9-phenylfluoren-3-yl)-4-(N-(9-phenylcarbazol-3-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-(N-(4-phenylphenyl)anilino)-8-(9-pyridin-3-ylcarbazol-3-yl)dibenzofuran-2-yl] trifluoromethanesulfonate
CID 158359738
[8-(9-dibenzothiophen-4-ylcarbazol-1-yl)-4-(N-phenylanilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]-8-(9,9-dimethylfluoren-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9,9-dimethylfluoren-1-yl)-4-(N-phenylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-(4-phenylphenyl)anilino)-8-(9-pyridin-3-ylcarbazol-1-yl)dibenzofuran-2-yl] trifluoromethanesulfonate
CID 158485748
[8-(9,9-dimethylfluoren-3-yl)-4-(N-(9,9-dimethylfluoren-3-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[8-(9,9-diphenylfluoren-3-yl)-4-(N-phenylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9-methyl-9-phenylfluoren-3-yl)-4-(N-(9-phenylcarbazol-3-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate
CID 158905392
[4-(4-dibenzofuran-4-yl-N-dibenzothiophen-3-ylanilino)-8-(N-pyridin-2-ylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-[(9,9-dimethylfluoren-3-yl)-pyridin-3-ylamino]-8-(3-methyl-N-(3-phenylphenyl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)-8-(N-(4-phenylquinazolin-2-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate
CID 159223202
[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]-8-(9,9-dimethylfluoren-3-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9,9-dimethylfluoren-3-yl)-4-(N-phenylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-(4-phenylphenyl)anilino)-8-(9-pyridin-3-ylcarbazol-3-yl)dibenzofuran-2-yl] trifluoromethanesulfonate
CID 159461813
[10-(N-dibenzothiophen-2-ylanilino)-5-(11-phenylbenzo[a]carbazol-5-yl)naphtho[1,2-b][1]benzofuran-8-yl] trifluoromethanesulfonate;[10-(N-naphthalen-2-ylanilino)-5-(5-phenylbenzo[b]carbazol-2-yl)naphtho[1,2-b][1]benzofuran-8-yl] trifluoromethanesulfonate;[8-(7-phenylbenzo[c]carbazol-10-yl)-4-(4-phenyl-N-(2,3,4,5-tetradeuteriophenyl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate
CID 159758294
[4-(N-dibenzofuran-3-ylanilino)-8-naphtho[2,3-b][1]benzothiol-6-yldibenzofuran-2-yl] trifluoromethanesulfonate;[4-(N-dibenzothiophen-3-ylanilino)-8-naphtho[2,3-b][1]benzothiol-4-yldibenzofuran-2-yl] trifluoromethanesulfonate;[8-dibenzothiophen-4-yl-4-(N-dibenzothiophen-2-ylanilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[8-dibenzothiophen-4-yl-4-(N-dibenzothiophen-3-ylanilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-[di(dibenzothiophen-2-yl)amino]-8-(12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)dibenzofuran-2-yl] trifluoromethanesulfonate;[8-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)-4-(N-(9-phenylcarbazol-3-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate
CID 160039349
[8-(9,9-dimethylfluoren-4-yl)-4-(N-(9,9-dimethylfluoren-3-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[8-(9,9-diphenylfluoren-4-yl)-4-(N-(4-naphthalen-2-ylphenyl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9,9-diphenylfluoren-4-yl)-4-(N-phenylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9-methyl-9-phenylfluoren-4-yl)-4-(N-(9-phenylcarbazol-3-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate
CID 160068343
CID 160246780
CID 160246780
[4-(N-dibenzofuran-3-ylanilino)-8-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-2-yl] trifluoromethanesulfonate;[4-(N-dibenzothiophen-2-ylanilino)-8-naphtho[2,1-b][1]benzothiol-10-yldibenzofuran-2-yl] trifluoromethanesulfonate;[4-(N-dibenzothiophen-3-ylanilino)-8-naphtho[2,3-b][1]benzothiol-2-yldibenzofuran-2-yl] trifluoromethanesulfonate;[8-dibenzothiophen-2-yl-4-(N-dibenzothiophen-2-ylanilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[8-dibenzothiophen-2-yl-4-(N-dibenzothiophen-3-ylanilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[8-naphtho[1,2-b][1]benzothiol-8-yl-4-(N-(9-phenylcarbazol-2-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate
CID 160713662
[8-(9-dibenzothiophen-4-ylcarbazol-3-yl)-4-(N-phenylanilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[8-(9-naphthalen-1-ylcarbazol-3-yl)-4-(N-phenylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9-phenanthren-9-ylcarbazol-3-yl)-4-(N-(4-phenylphenyl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate
CID 160895713

Frequently Asked Questions

What is the IUPAC name of [8-(9-dibenzothiophen-4-ylcarbazol-1-yl)-4-(N-phenylanilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]-8-(9,9-dimethylfluoren-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9,9-dimethylfluoren-1-yl)-4-(N-phenylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-phenylanilino)-8-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9-phenylcarbazol-1-yl)-4-(N-(4-phenylphenyl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-(4-phenylphenyl)anilino)-8-(9-pyridin-3-ylcarbazol-1-yl)dibenzofuran-2-yl] trifluoromethanesulfonate?
The IUPAC name of [8-(9-dibenzothiophen-4-ylcarbazol-1-yl)-4-(N-phenylanilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]-8-(9,9-dimethylfluoren-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9,9-dimethylfluoren-1-yl)-4-(N-phenylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-phenylanilino)-8-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9-phenylcarbazol-1-yl)-4-(N-(4-phenylphenyl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-(4-phenylphenyl)anilino)-8-(9-pyridin-3-ylcarbazol-1-yl)dibenzofuran-2-yl] trifluoromethanesulfonate (CID 161006684) is [8-(9-dibenzothiophen-4-ylcarbazol-1-yl)-4-(N-phenylanilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]-8-(9,9-dimethylfluoren-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9,9-dimethylfluoren-1-yl)-4-(N-phenylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-phenylanilino)-8-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9-phenylcarbazol-1-yl)-4-(N-(4-phenylphenyl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-(4-phenylphenyl)anilino)-8-(9-pyridin-3-ylcarbazol-1-yl)dibenzofuran-2-yl] trifluoromethanesulfonate.
What is the SMILES notation for [8-(9-dibenzothiophen-4-ylcarbazol-1-yl)-4-(N-phenylanilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]-8-(9,9-dimethylfluoren-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9,9-dimethylfluoren-1-yl)-4-(N-phenylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-phenylanilino)-8-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9-phenylcarbazol-1-yl)-4-(N-(4-phenylphenyl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-(4-phenylphenyl)anilino)-8-(9-pyridin-3-ylcarbazol-1-yl)dibenzofuran-2-yl] trifluoromethanesulfonate?
The canonical SMILES for [8-(9-dibenzothiophen-4-ylcarbazol-1-yl)-4-(N-phenylanilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]-8-(9,9-dimethylfluoren-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9,9-dimethylfluoren-1-yl)-4-(N-phenylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-phenylanilino)-8-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9-phenylcarbazol-1-yl)-4-(N-(4-phenylphenyl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-(4-phenylphenyl)anilino)-8-(9-pyridin-3-ylcarbazol-1-yl)dibenzofuran-2-yl] trifluoromethanesulfonate is CC1(C)c2ccccc2-c2cccc(-c3ccc4sc5c(N(c6ccc7c(c6)sc6ccccc67)c6ccc7sc8ccccc8c7c6)cc(OS(=O)(=O)C(F)(F)F)cc5c4c3)c21.CC1(C)c2ccccc2-c2cccc(-c3ccc4sc5c(N(c6ccccc6)c6ccccc6)cc(OS(=O)(=O)C(F)(F)F)cc5c4c3)c21.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c2oc3ccc(-c4cccc5c6ccccc6n(-c6cccnc6)c45)cc3c2c1)C(F)(F)F.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c2sc3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3c2c1)C(F)(F)F.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccccc2)c2oc3ccc(-c4cccc5c6ccccc6n(-c6cccc7c6sc6ccccc67)c45)cc3c2c1)C(F)(F)F.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccccc2)c2sc3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3c2c1)C(F)(F)F.
What is the InChIKey of [8-(9-dibenzothiophen-4-ylcarbazol-1-yl)-4-(N-phenylanilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]-8-(9,9-dimethylfluoren-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9,9-dimethylfluoren-1-yl)-4-(N-phenylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-phenylanilino)-8-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9-phenylcarbazol-1-yl)-4-(N-(4-phenylphenyl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-(4-phenylphenyl)anilino)-8-(9-pyridin-3-ylcarbazol-1-yl)dibenzofuran-2-yl] trifluoromethanesulfonate?
The InChIKey is TWPAKHHILAGZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32F3NO3S4.C49H29F3N2O4S2.C49H31F3N2O3S2.C48H30F3N3O4S.C43H27F3N2O3S2.C40H28F3NO3S2/c1-51(2)42-15-6-3-10-34(42)38-14-9-13-33(49(38)51)29-18-22-47-39(24-29)41-27-32(59-63(57,58)52(53,54)55)28-43(50(41)62-47)56(30-20-23-46-40(25-30)36-12-5-8-17-45(36)60-46)31-19-21-37-35-11-4-7-16-44(35)61-48(37)26-31;50-49(51,52)60(55,56)58-33-28-40-39-27-30(25-26-44(39)57-47(40)43(29-33)53(31-13-3-1-4-14-31)32-15-5-2-6-16-32)34-19-11-20-37-35-17-7-9-22-41(35)54(46(34)37)42-23-12-21-38-36-18-8-10-24-45(36)59-48(38)42;50-49(51,52)59(55,56)57-38-30-43-42-29-34(39-20-12-21-41-40-19-10-11-22-44(40)54(47(39)41)36-17-8-3-9-18-36)25-28-46(42)58-48(43)45(31-38)53(35-15-6-2-7-16-35)37-26-23-33(24-27-37)32-13-4-1-5-14-32;49-48(50,51)59(55,56)58-37-28-42-41-27-33(38-17-9-18-40-39-16-7-8-19-43(39)54(46(38)40)36-15-10-26-52-30-36)22-25-45(41)57-47(42)44(29-37)53(34-13-5-2-6-14-34)35-23-20-32(21-24-35)31-11-3-1-4-12-31;44-43(45,46)53(49,50)51-32-26-37-36-25-28(33-20-12-21-35-34-19-10-11-22-38(34)48(41(33)35)31-17-8-3-9-18-31)23-24-40(36)52-42(37)39(27-32)47(29-13-4-1-5-14-29)30-15-6-2-7-16-30;1-39(2)34-19-10-9-16-30(34)31-18-11-17-29(37(31)39)25-20-21-36-32(22-25)33-23-28(47-49(45,46)40(41,42)43)24-35(38(33)48-36)44(26-12-5-3-6-13-26)27-14-7-4-8-15-27/h3-28H,1-2H3;1-29H;1-31H;1-30H;1-27H;3-24H,1-2H3.
What are the key properties of [8-(9-dibenzothiophen-4-ylcarbazol-1-yl)-4-(N-phenylanilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]-8-(9,9-dimethylfluoren-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9,9-dimethylfluoren-1-yl)-4-(N-phenylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-phenylanilino)-8-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9-phenylcarbazol-1-yl)-4-(N-(4-phenylphenyl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-(4-phenylphenyl)anilino)-8-(9-pyridin-3-ylcarbazol-1-yl)dibenzofuran-2-yl] trifluoromethanesulfonate?
[8-(9-dibenzothiophen-4-ylcarbazol-1-yl)-4-(N-phenylanilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]-8-(9,9-dimethylfluoren-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9,9-dimethylfluoren-1-yl)-4-(N-phenylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-phenylanilino)-8-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9-phenylcarbazol-1-yl)-4-(N-(4-phenylphenyl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-(4-phenylphenyl)anilino)-8-(9-pyridin-3-ylcarbazol-1-yl)dibenzofuran-2-yl] trifluoromethanesulfonate has a molecular weight of 4786.40 g/mol, XLogP of 82.41, 42 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(9-dibenzothiophen-4-ylcarbazol-1-yl)-4-(N-phenylanilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]-8-(9,9-dimethylfluoren-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9,9-dimethylfluoren-1-yl)-4-(N-phenylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-phenylanilino)-8-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9-phenylcarbazol-1-yl)-4-(N-(4-phenylphenyl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-(4-phenylphenyl)anilino)-8-(9-pyridin-3-ylcarbazol-1-yl)dibenzofuran-2-yl] trifluoromethanesulfonate is sourced from PubChem (CID 161006684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).