[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

C140H90F9N5O10S7 — CID 159461813

IUPAC[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
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4sc5c(N(c6ccc7c(c6)sc6ccccc67)c6ccc7sc8ccccc8c7c6)cc(OS(=O)(=O)C(F)(F)F)cc5c4c3)ccc21.CC1(C)c2ccccc2-c2cc(-c3ccc4sc5c(N(c6ccccc6)c6ccccc6)cc(OS(=O)(=O)C(F)(F)F)cc5c4c3)ccc21.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccnc4)cc3c2c1)C(F)(F)F
InChIInChI=1S/C52H32F3NO3S4.C48H30F3N3O4S.C40H28F3NO3S2/c1-51(2)42-12-6-3-9-34(42)38-23-29(15-20-43(38)51)30-16-21-48-39(24-30)41-27-33(59-63(57,58)52(53,54)55)28-44(50(41)62-48)56(31-18-22-47-40(25-31)36-11-5-8-14-46(36)60-47)32-17-19-37-35-10-4-7-13-45(35)61-49(37)26-32;49-48(50,51)59(55,56)58-38-28-42-41-27-34(33-19-23-44-40(26-33)39-15-7-8-16-43(39)54(44)37-14-9-25-52-30-37)20-24-46(41)57-47(42)45(29-38)53(35-12-5-2-6-13-35)36-21-17-32(18-22-36)31-10-3-1-4-11-31;1-39(2)34-16-10-9-15-30(34)31-21-25(17-19-35(31)39)26-18-20-37-32(22-26)33-23-29(47-49(45,46)40(41,42)43)24-36(38(33)48-37)44(27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-28H,1-2H3;1-30H;3-24H,1-2H3
InChIKeyLURJOWOWTVBQAJ-UHFFFAOYSA-N
MW2397.74 g/mol
LogP41.30
Rot. Bonds20

About [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

[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 (PubChem CID 159461813) has the molecular formula C140H90F9N5O10S7 and a molecular weight of 2397.74 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID159461813
Molecular FormulaC140H90F9N5O10S7
Molecular Weight2397.74 g/mol
Exact Mass2395.46
IUPAC Name[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
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4sc5c(N(c6ccc7c(c6)sc6ccccc67)c6ccc7sc8ccccc8c7c6)cc(OS(=O)(=O)C(F)(F)F)cc5c4c3)ccc21.CC1(C)c2ccccc2-c2cc(-c3ccc4sc5c(N(c6ccccc6)c6ccccc6)cc(OS(=O)(=O)C(F)(F)F)cc5c4c3)ccc21.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccnc4)cc3c2c1)C(F)(F)F
InChIInChI=1S/C52H32F3NO3S4.C48H30F3N3O4S.C40H28F3NO3S2/c1-51(2)42-12-6-3-9-34(42)38-23-29(15-20-43(38)51)30-16-21-48-39(24-30)41-27-33(59-63(57,58)52(53,54)55)28-44(50(41)62-48)56(31-18-22-47-40(25-31)36-11-5-8-14-46(36)60-47)32-17-19-37-35-10-4-7-13-45(35)61-49(37)26-32;49-48(50,51)59(55,56)58-38-28-42-41-27-34(33-19-23-44-40(26-33)39-15-7-8-16-43(39)54(44)37-14-9-25-52-30-37)20-24-46(41)57-47(42)45(29-38)53(35-12-5-2-6-13-35)36-21-17-32(18-22-36)31-10-3-1-4-11-31;1-39(2)34-16-10-9-15-30(34)31-21-25(17-19-35(31)39)26-18-20-37-32(22-26)33-23-29(47-49(45,46)40(41,42)43)24-36(38(33)48-37)44(27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-28H,1-2H3;1-30H;3-24H,1-2H3
InChIKeyLURJOWOWTVBQAJ-UHFFFAOYSA-N
XLogP41.30
TPSA170.79 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002397.74
LogP ≤ 541.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze [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 with MolForge

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Related Compounds

[10-(N-dibenzothiophen-2-ylanilino)-5-(11-phenylbenzo[a]carbazol-5-yl)naphtho[1,2-b][1]benzofuran-8-yl] trifluoromethanesulfonate
CID 153311591
[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
[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
CID 160415566
CID 160415566
[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

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC1(C)c2ccccc2-c2cc(-c3ccc4sc5c(N(c6ccc7c(c6)sc6ccccc67)c6ccc7sc8ccccc8c7c6)cc(OS(=O)(=O)C(F)(F)F)cc5c4c3)ccc21.CC1(C)c2ccccc2-c2cc(-c3ccc4sc5c(N(c6ccccc6)c6ccccc6)cc(OS(=O)(=O)C(F)(F)F)cc5c4c3)ccc21.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccnc4)cc3c2c1)C(F)(F)F.
What is the InChIKey of [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?
The InChIKey is LURJOWOWTVBQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32F3NO3S4.C48H30F3N3O4S.C40H28F3NO3S2/c1-51(2)42-12-6-3-9-34(42)38-23-29(15-20-43(38)51)30-16-21-48-39(24-30)41-27-33(59-63(57,58)52(53,54)55)28-44(50(41)62-48)56(31-18-22-47-40(25-31)36-11-5-8-14-46(36)60-47)32-17-19-37-35-10-4-7-13-45(35)61-49(37)26-32;49-48(50,51)59(55,56)58-38-28-42-41-27-34(33-19-23-44-40(26-33)39-15-7-8-16-43(39)54(44)37-14-9-25-52-30-37)20-24-46(41)57-47(42)45(29-38)53(35-12-5-2-6-13-35)36-21-17-32(18-22-36)31-10-3-1-4-11-31;1-39(2)34-16-10-9-15-30(34)31-21-25(17-19-35(31)39)26-18-20-37-32(22-26)33-23-29(47-49(45,46)40(41,42)43)24-36(38(33)48-37)44(27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-28H,1-2H3;1-30H;3-24H,1-2H3.
What are the key properties of [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?
[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 has a molecular weight of 2397.74 g/mol, XLogP of 41.30, 20 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 159461813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).