[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

C280H157F18N7O25S16 — CID 160713662

IUPAC[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
SMILESO=S(=O)(Oc1cc(N(c2ccccc2)c2ccc3c(c2)oc2ccccc23)c2oc3ccc(-c4cc5c6ccccc6sc5c5ccccc45)cc3c2c1)C(F)(F)F.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc3c(c2)sc2ccccc23)c2oc3ccc(-c4ccc5sc6cc7ccccc7cc6c5c4)cc3c2c1)C(F)(F)F.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc3c(c2)sc2ccccc23)c2oc3ccc(-c4ccc5sc6ccccc6c5c4)cc3c2c1)C(F)(F)F.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2oc3ccc(-c4ccc5sc6c7ccccc7ccc6c5c4)cc3c2c1)C(F)(F)F.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc3sc4ccccc4c3c2)c2oc3ccc(-c4ccc5sc6ccc7ccccc7c6c5c4)cc3c2c1)C(F)(F)F.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc3sc4ccccc4c3c2)c2oc3ccc(-c4ccc5sc6ccccc6c5c4)cc3c2c1)C(F)(F)F
InChIInChI=1S/C53H31F3N2O4S2.C47H26F3NO5S2.2C47H26F3NO4S3.2C43H24F3NO4S3/c54-53(55,56)64(59,60)62-38-30-45-43-27-33(34-21-26-50-44(28-34)42-23-19-32-11-7-8-16-39(32)52(42)63-50)20-25-49(43)61-51(45)48(31-38)57(35-12-3-1-4-13-35)37-22-24-41-40-17-9-10-18-46(40)58(47(41)29-37)36-14-5-2-6-15-36;48-47(49,50)58(52,53)56-30-24-38-37-22-27(36-26-39-34-14-7-9-17-44(34)57-46(39)35-15-5-4-12-31(35)36)18-21-42(37)55-45(38)40(25-30)51(28-10-2-1-3-11-28)29-19-20-33-32-13-6-8-16-41(32)54-43(33)23-29;48-47(49,50)58(52,53)55-33-25-39-36-20-29(30-15-19-43-37(22-30)38-21-27-8-4-5-9-28(27)23-44(38)57-43)14-18-41(36)54-46(39)40(26-33)51(31-10-2-1-3-11-31)32-16-17-35-34-12-6-7-13-42(34)56-45(35)24-32;48-47(49,50)58(52,53)55-32-25-37-35-22-28(29-16-19-43-38(23-29)45-33-11-5-4-8-27(33)15-20-44(45)57-43)14-18-40(35)54-46(37)39(26-32)51(30-9-2-1-3-10-30)31-17-21-42-36(24-31)34-12-6-7-13-41(34)56-42;44-43(45,46)54(48,49)51-29-23-35-33-20-25(26-15-19-40-34(21-26)31-11-5-7-13-39(31)52-40)14-18-37(33)50-42(35)36(24-29)47(27-8-2-1-3-9-27)28-16-17-32-30-10-4-6-12-38(30)53-41(32)22-28;44-43(45,46)54(48,49)51-29-23-35-32-20-25(26-15-18-40-33(21-26)30-10-4-6-12-38(30)52-40)14-17-37(32)50-42(35)36(24-29)47(27-8-2-1-3-9-27)28-16-19-41-34(22-28)31-11-5-7-13-39(31)53-41/h1-31H;3*1-26H;2*1-24H
InChIKeyRSEMUCPFGCLQAE-UHFFFAOYSA-N
MW4874.40 g/mol
LogP87.00
Rot. Bonds37

About [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

[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 (PubChem CID 160713662) has the molecular formula C280H157F18N7O25S16 and a molecular weight of 4874.40 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID160713662
Molecular FormulaC280H157F18N7O25S16
Molecular Weight4874.40 g/mol
Exact Mass4869.65
IUPAC Name[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
SMILESO=S(=O)(Oc1cc(N(c2ccccc2)c2ccc3c(c2)oc2ccccc23)c2oc3ccc(-c4cc5c6ccccc6sc5c5ccccc45)cc3c2c1)C(F)(F)F.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc3c(c2)sc2ccccc23)c2oc3ccc(-c4ccc5sc6cc7ccccc7cc6c5c4)cc3c2c1)C(F)(F)F.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc3c(c2)sc2ccccc23)c2oc3ccc(-c4ccc5sc6ccccc6c5c4)cc3c2c1)C(F)(F)F.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2oc3ccc(-c4ccc5sc6c7ccccc7ccc6c5c4)cc3c2c1)C(F)(F)F.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc3sc4ccccc4c3c2)c2oc3ccc(-c4ccc5sc6ccc7ccccc7c6c5c4)cc3c2c1)C(F)(F)F.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc3sc4ccccc4c3c2)c2oc3ccc(-c4ccc5sc6ccccc6c5c4)cc3c2c1)C(F)(F)F
InChIInChI=1S/C53H31F3N2O4S2.C47H26F3NO5S2.2C47H26F3NO4S3.2C43H24F3NO4S3/c54-53(55,56)64(59,60)62-38-30-45-43-27-33(34-21-26-50-44(28-34)42-23-19-32-11-7-8-16-39(32)52(42)63-50)20-25-49(43)61-51(45)48(31-38)57(35-12-3-1-4-13-35)37-22-24-41-40-17-9-10-18-46(40)58(47(41)29-37)36-14-5-2-6-15-36;48-47(49,50)58(52,53)56-30-24-38-37-22-27(36-26-39-34-14-7-9-17-44(34)57-46(39)35-15-5-4-12-31(35)36)18-21-42(37)55-45(38)40(25-30)51(28-10-2-1-3-11-28)29-19-20-33-32-13-6-8-16-41(32)54-43(33)23-29;48-47(49,50)58(52,53)55-33-25-39-36-20-29(30-15-19-43-37(22-30)38-21-27-8-4-5-9-28(27)23-44(38)57-43)14-18-41(36)54-46(39)40(26-33)51(31-10-2-1-3-11-31)32-16-17-35-34-12-6-7-13-42(34)56-45(35)24-32;48-47(49,50)58(52,53)55-32-25-37-35-22-28(29-16-19-43-38(23-29)45-33-11-5-4-8-27(33)15-20-44(45)57-43)14-18-40(35)54-46(37)39(26-32)51(30-9-2-1-3-10-30)31-17-21-42-36(24-31)34-12-6-7-13-41(34)56-42;44-43(45,46)54(48,49)51-29-23-35-33-20-25(26-15-19-40-34(21-26)31-11-5-7-13-39(31)52-40)14-18-37(33)50-42(35)36(24-29)47(27-8-2-1-3-9-27)28-16-17-32-30-10-4-6-12-38(30)53-41(32)22-28;44-43(45,46)54(48,49)51-29-23-35-32-20-25(26-15-18-40-33(21-26)30-10-4-6-12-38(30)52-40)14-17-37(32)50-42(35)36(24-29)47(27-8-2-1-3-9-27)28-16-19-41-34(22-28)31-11-5-7-13-39(31)53-41/h1-31H;3*1-26H;2*1-24H
InChIKeyRSEMUCPFGCLQAE-UHFFFAOYSA-N
XLogP87.00
TPSA376.57 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds37
Heavy Atoms346
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004874.40
LogP ≤ 587.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze [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 with MolForge

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Related Compounds

[8-naphtho[1,2-b][1]benzothiol-8-yl-4-(N-(9-phenyl-5,6-dihydrocarbazol-2-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate
CID 142310323
[10-[N-(5a,9a-dihydrodibenzothiophen-2-yl)anilino]-5-(11-phenylbenzo[a]carbazol-5-yl)naphtho[1,2-b][1]benzofuran-8-yl] trifluoromethanesulfonate
CID 142310341
[8-(9-dibenzothiophen-4-ylcarbazol-1-yl)-4-(N-phenylanilino)dibenzofuran-2-yl] trifluoromethanesulfonate
CID 153311589
[10-(N-dibenzothiophen-2-ylanilino)-5-(11-phenylbenzo[a]carbazol-5-yl)naphtho[1,2-b][1]benzofuran-8-yl] trifluoromethanesulfonate
CID 153311591
[8-naphtho[1,2-b][1]benzothiol-7-yl-4-(N-(9-phenylcarbazol-2-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate
CID 153311598
[8-(9-dibenzothiophen-4-ylcarbazol-3-yl)-4-(N-phenylanilino)dibenzofuran-2-yl] trifluoromethanesulfonate
CID 153311657
[8-naphtho[1,2-b][1]benzothiol-8-yl-4-(N-(9-phenylcarbazol-2-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate
CID 153311670
[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
[8-dibenzofuran-1-yl-4-(N-phenylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-dibenzofuran-1-yl-4-(N-(4-phenylphenyl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-dibenzothiophen-2-ylanilino)-8-(9-phenylcarbazol-4-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-dibenzothiophen-3-ylanilino)-8-(9-phenylcarbazol-4-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(11-phenylbenzo[a]carbazol-7-yl)-4-(N-[3-(9-phenylcarbazol-1-yl)phenyl]anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(7-phenylbenzo[c]carbazol-11-yl)-4-(4-phenyl-N-(2,3,4,5-tetradeuteriophenyl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate
CID 157536689
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;9-[2-(2,6-difluorophenyl)-3-(2-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-methylcarbazole;9-[2-(2,6-difluorophenyl)-3-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-methylcarbazole
CID 157918201
[8-(N-dibenzofuran-3-yl-4-phenylanilino)-4-(N-phenylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(N-dibenzothiophen-3-ylanilino)-4-(N-phenylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-phenylanilino)-8-(N-(9-phenylcarbazol-2-yl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate
CID 158101219
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-2-methylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-2-methylphenyl]-[1]benzothiolo[2,3-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 158304035

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc3c(c2)oc2ccccc23)c2oc3ccc(-c4cc5c6ccccc6sc5c5ccccc45)cc3c2c1)C(F)(F)F.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc3c(c2)sc2ccccc23)c2oc3ccc(-c4ccc5sc6cc7ccccc7cc6c5c4)cc3c2c1)C(F)(F)F.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc3c(c2)sc2ccccc23)c2oc3ccc(-c4ccc5sc6ccccc6c5c4)cc3c2c1)C(F)(F)F.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2oc3ccc(-c4ccc5sc6c7ccccc7ccc6c5c4)cc3c2c1)C(F)(F)F.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc3sc4ccccc4c3c2)c2oc3ccc(-c4ccc5sc6ccc7ccccc7c6c5c4)cc3c2c1)C(F)(F)F.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc3sc4ccccc4c3c2)c2oc3ccc(-c4ccc5sc6ccccc6c5c4)cc3c2c1)C(F)(F)F.
What is the InChIKey of [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?
The InChIKey is RSEMUCPFGCLQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31F3N2O4S2.C47H26F3NO5S2.2C47H26F3NO4S3.2C43H24F3NO4S3/c54-53(55,56)64(59,60)62-38-30-45-43-27-33(34-21-26-50-44(28-34)42-23-19-32-11-7-8-16-39(32)52(42)63-50)20-25-49(43)61-51(45)48(31-38)57(35-12-3-1-4-13-35)37-22-24-41-40-17-9-10-18-46(40)58(47(41)29-37)36-14-5-2-6-15-36;48-47(49,50)58(52,53)56-30-24-38-37-22-27(36-26-39-34-14-7-9-17-44(34)57-46(39)35-15-5-4-12-31(35)36)18-21-42(37)55-45(38)40(25-30)51(28-10-2-1-3-11-28)29-19-20-33-32-13-6-8-16-41(32)54-43(33)23-29;48-47(49,50)58(52,53)55-33-25-39-36-20-29(30-15-19-43-37(22-30)38-21-27-8-4-5-9-28(27)23-44(38)57-43)14-18-41(36)54-46(39)40(26-33)51(31-10-2-1-3-11-31)32-16-17-35-34-12-6-7-13-42(34)56-45(35)24-32;48-47(49,50)58(52,53)55-32-25-37-35-22-28(29-16-19-43-38(23-29)45-33-11-5-4-8-27(33)15-20-44(45)57-43)14-18-40(35)54-46(37)39(26-32)51(30-9-2-1-3-10-30)31-17-21-42-36(24-31)34-12-6-7-13-41(34)56-42;44-43(45,46)54(48,49)51-29-23-35-33-20-25(26-15-19-40-34(21-26)31-11-5-7-13-39(31)52-40)14-18-37(33)50-42(35)36(24-29)47(27-8-2-1-3-9-27)28-16-17-32-30-10-4-6-12-38(30)53-41(32)22-28;44-43(45,46)54(48,49)51-29-23-35-32-20-25(26-15-18-40-33(21-26)30-10-4-6-12-38(30)52-40)14-17-37(32)50-42(35)36(24-29)47(27-8-2-1-3-9-27)28-16-19-41-34(22-28)31-11-5-7-13-39(31)53-41/h1-31H;3*1-26H;2*1-24H.
What are the key properties of [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?
[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 has a molecular weight of 4874.40 g/mol, XLogP of 87.00, 37 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 160713662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).