[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

C156H105F9N4O11S4 — CID 158905392

IUPAC[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
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4oc5c(N(c6ccccc6)c6ccc7c(c6)-c6ccccc6C7(C)C)cc(OS(=O)(=O)C(F)(F)F)cc5c4c3)ccc21.CC1(c2ccccc2)c2ccccc2-c2cc(-c3ccc4oc5c(N(c6ccccc6)c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc(OS(=O)(=O)C(F)(F)F)cc5c4c3)ccc21.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccccc2)c2sc3ccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3c2c1)C(F)(F)F
InChIInChI=1S/C57H37F3N2O4S.C50H32F3NO3S2.C49H36F3NO4S/c1-56(38-15-5-2-6-16-38)49-23-13-11-21-43(49)45-31-36(25-28-50(45)56)37-26-30-54-47(32-37)48-34-42(66-67(63,64)57(58,59)60)35-53(55(48)65-54)61(39-17-7-3-8-18-39)41-27-29-52-46(33-41)44-22-12-14-24-51(44)62(52)40-19-9-4-10-20-40;51-50(52,53)59(55,56)57-39-31-43-42-30-34(26-28-47(42)58-48(43)46(32-39)54(37-19-9-3-10-20-37)38-21-11-4-12-22-38)33-25-27-45-41(29-33)40-23-13-14-24-44(40)49(45,35-15-5-1-6-16-35)36-17-7-2-8-18-36;1-47(2)40-16-10-8-14-34(40)36-24-29(18-21-42(36)47)30-19-23-45-38(25-30)39-27-33(57-58(54,55)49(50,51)52)28-44(46(39)56-45)53(31-12-6-5-7-13-31)32-20-22-43-37(26-32)35-15-9-11-17-41(35)48(43,3)4/h2-35H,1H3;1-32H;5-28H,1-4H3
InChIKeyJFZCRCOWIWPPPK-UHFFFAOYSA-N
MW2510.82 g/mol
LogP42.73
Rot. Bonds22

About [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

[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 (PubChem CID 158905392) has the molecular formula C156H105F9N4O11S4 and a molecular weight of 2510.82 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID158905392
Molecular FormulaC156H105F9N4O11S4
Molecular Weight2510.82 g/mol
Exact Mass2508.65
IUPAC Name[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
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4oc5c(N(c6ccccc6)c6ccc7c(c6)-c6ccccc6C7(C)C)cc(OS(=O)(=O)C(F)(F)F)cc5c4c3)ccc21.CC1(c2ccccc2)c2ccccc2-c2cc(-c3ccc4oc5c(N(c6ccccc6)c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc(OS(=O)(=O)C(F)(F)F)cc5c4c3)ccc21.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccccc2)c2sc3ccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3c2c1)C(F)(F)F
InChIInChI=1S/C57H37F3N2O4S.C50H32F3NO3S2.C49H36F3NO4S/c1-56(38-15-5-2-6-16-38)49-23-13-11-21-43(49)45-31-36(25-28-50(45)56)37-26-30-54-47(32-37)48-34-42(66-67(63,64)57(58,59)60)35-53(55(48)65-54)61(39-17-7-3-8-18-39)41-27-29-52-46(33-41)44-22-12-14-24-51(44)62(52)40-19-9-4-10-20-40;51-50(52,53)59(55,56)57-39-31-43-42-30-34(26-28-47(42)58-48(43)46(32-39)54(37-19-9-3-10-20-37)38-21-11-4-12-22-38)33-25-27-45-41(29-33)40-23-13-14-24-44(40)49(45,35-15-5-1-6-16-35)36-17-7-2-8-18-36;1-47(2)40-16-10-8-14-34(40)36-24-29(18-21-42(36)47)30-19-23-45-38(25-30)39-27-33(57-58(54,55)49(50,51)52)28-44(46(39)56-45)53(31-12-6-5-7-13-31)32-20-22-43-37(26-32)35-15-9-11-17-41(35)48(43,3)4/h2-35H,1H3;1-32H;5-28H,1-4H3
InChIKeyJFZCRCOWIWPPPK-UHFFFAOYSA-N
XLogP42.73
TPSA171.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002510.82
LogP ≤ 542.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze [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 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-methyl-9-phenylfluoren-3-yl)-4-(N-(9-phenylcarbazol-3-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate
CID 153311561
[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-(9-methyl-9-phenylfluoren-4-yl)-4-(N-(9-phenylcarbazol-3-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate
CID 153311691
[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-(N-dibenzothiophen-2-ylanilino)-8-(N-(9,9-dimethylfluoren-3-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-(N-phenylanilino)-8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl] trifluoromethanesulfonate
CID 157616228
[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

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC1(C)c2ccccc2-c2cc(-c3ccc4oc5c(N(c6ccccc6)c6ccc7c(c6)-c6ccccc6C7(C)C)cc(OS(=O)(=O)C(F)(F)F)cc5c4c3)ccc21.CC1(c2ccccc2)c2ccccc2-c2cc(-c3ccc4oc5c(N(c6ccccc6)c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc(OS(=O)(=O)C(F)(F)F)cc5c4c3)ccc21.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccccc2)c2sc3ccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3c2c1)C(F)(F)F.
What is the InChIKey of [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?
The InChIKey is JFZCRCOWIWPPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37F3N2O4S.C50H32F3NO3S2.C49H36F3NO4S/c1-56(38-15-5-2-6-16-38)49-23-13-11-21-43(49)45-31-36(25-28-50(45)56)37-26-30-54-47(32-37)48-34-42(66-67(63,64)57(58,59)60)35-53(55(48)65-54)61(39-17-7-3-8-18-39)41-27-29-52-46(33-41)44-22-12-14-24-51(44)62(52)40-19-9-4-10-20-40;51-50(52,53)59(55,56)57-39-31-43-42-30-34(26-28-47(42)58-48(43)46(32-39)54(37-19-9-3-10-20-37)38-21-11-4-12-22-38)33-25-27-45-41(29-33)40-23-13-14-24-44(40)49(45,35-15-5-1-6-16-35)36-17-7-2-8-18-36;1-47(2)40-16-10-8-14-34(40)36-24-29(18-21-42(36)47)30-19-23-45-38(25-30)39-27-33(57-58(54,55)49(50,51)52)28-44(46(39)56-45)53(31-12-6-5-7-13-31)32-20-22-43-37(26-32)35-15-9-11-17-41(35)48(43,3)4/h2-35H,1H3;1-32H;5-28H,1-4H3.
What are the key properties of [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?
[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 has a molecular weight of 2510.82 g/mol, XLogP of 42.73, 22 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 158905392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).