[8-[3-[[1]benzofuro[2,3-b]pyridin-3-yl(pyridin-3-yl)amino]phenyl]-4-(N-(9-phenylcarbazol-2-yl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[10-(N-dibenzofuran-3-ylanilino)-5-[3-(N-dibenzofuran-3-ylanilino)phenyl]naphtho[1,2-b][1]benzothiol-8-yl] trifluoromethanesulfonate;[10-(N-dibenzothiophen-3-ylanilino)-5-[4-(N-dibenzothiophen-2-ylanilino)phenyl]naphtho[1,2-b][1]benzothiol-8-yl] trifluoromethanesulfonate

C177H106F9N9O12S8 — CID 157482735

About [8-[3-[[1]benzofuro[2,3-b]pyridin-3-yl(pyridin-3-yl)amino]phenyl]-4-(N-(9-phenylcarbazol-2-yl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[10-(N-dibenzofuran-3-ylanilino)-5-[3-(N-dibenzofuran-3-ylanilino)phenyl]naphtho[1,2-b][1]benzothiol-8-yl] trifluoromethanesulfonate;[10-(N-dibenzothiophen-3-ylanilino)-5-[4-(N-dibenzothiophen-2-ylanilino)phenyl]naphtho[1,2-b][1]benzothiol-8-yl] trifluoromethanesulfonate

[8-[3-[[1]benzofuro[2,3-b]pyridin-3-yl(pyridin-3-yl)amino]phenyl]-4-(N-(9-phenylcarbazol-2-yl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[10-(N-dibenzofuran-3-ylanilino)-5-[3-(N-dibenzofuran-3-ylanilino)phenyl]naphtho[1,2-b][1]benzothiol-8-yl] trifluoromethanesulfonate;[10-(N-dibenzothiophen-3-ylanilino)-5-[4-(N-dibenzothiophen-2-ylanilino)phenyl]naphtho[1,2-b][1]benzothiol-8-yl] trifluoromethanesulfonate (PubChem CID 157482735) has the molecular formula C177H106F9N9O12S8 and a molecular weight of 2978.36 g/mol. Its IUPAC name is [8-[3-[[1]benzofuro[2,3-b]pyridin-3-yl(pyridin-3-yl)amino]phenyl]-4-(N-(9-phenylcarbazol-2-yl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[10-(N-dibenzofuran-3-ylanilino)-5-[3-(N-dibenzofuran-3-ylanilino)phenyl]naphtho[1,2-b][1]benzothiol-8-yl] trifluoromethanesulfonate;[10-(N-dibenzothiophen-3-ylanilino)-5-[4-(N-dibenzothiophen-2-ylanilino)phenyl]naphtho[1,2-b][1]benzothiol-8-yl] trifluoromethanesulfonate.

Molecular Properties

• Compound Name: [8-[3-[[1]benzofuro[2,3-b]pyridin-3-yl(pyridin-3-yl)amino]phenyl]-4-(N-(9-phenylcarbazol-2-yl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[10-(N-dibenzofuran-3-ylanilino)-5-[3-(N-dibenzofuran-3-ylanilino)phenyl]naphtho[1,2-b][1]benzothiol-8-yl] trifluoromethanesulfonate;[10-(N-dibenzothiophen-3-ylanilino)-5-[4-(N-dibenzothiophen-2-ylanilino)phenyl]naphtho[1,2-b][1]benzothiol-8-yl] trifluoromethanesulfonate
• PubChem CID: 157482735
• Molecular Formula: C177H106F9N9O12S8
• Molecular Weight: 2978.36 g/mol
• Exact Mass: 2975.56
• IUPAC Name: [8-[3-[[1]benzofuro[2,3-b]pyridin-3-yl(pyridin-3-yl)amino]phenyl]-4-(N-(9-phenylcarbazol-2-yl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[10-(N-dibenzofuran-3-ylanilino)-5-[3-(N-dibenzofuran-3-ylanilino)phenyl]naphtho[1,2-b][1]benzothiol-8-yl] trifluoromethanesulfonate;[10-(N-dibenzothiophen-3-ylanilino)-5-[4-(N-dibenzothiophen-2-ylanilino)phenyl]naphtho[1,2-b][1]benzothiol-8-yl] trifluoromethanesulfonate
• SMILES: O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc3c(c2)oc2ccccc23)c2sc3c4ccccc4c(-c4cccc(N(c5ccccc5)c5ccc6c(c5)oc5ccccc56)c4)cc3c2c1)C(F)(F)F.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc3c(c2)sc2ccccc23)c2sc3c4ccccc4c(-c4ccc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)cc4)cc3c2c1)C(F)(F)F.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2sc3ccc(-c4cccc(N(c5cccnc5)c5cnc6oc7ccccc7c6c5)c4)cc3c2c1)C(F)(F)F
• InChI: InChI=1S/C59H36F3N5O4S2.C59H35F3N2O5S2.C59H35F3N2O3S4/c60-59(61,62)73(68,69)71-45-33-50-49-30-38(37-13-11-18-41(29-37)65(43-19-12-28-63-35-43)44-31-51-48-21-8-10-23-55(48)70-58(51)64-36-44)24-27-56(49)72-57(50)54(34-45)66(39-14-3-1-4-15-39)42-25-26-47-46-20-7-9-22-52(46)67(53(47)32-42)40-16-5-2-6-17-40;60-59(61,62)71(65,66)69-42-33-50-51-35-49(36-14-13-19-39(30-36)63(37-15-3-1-4-16-37)40-26-28-46-44-21-9-11-24-53(44)67-55(46)31-40)43-20-7-8-23-48(43)57(51)70-58(50)52(34-42)64(38-17-5-2-6-18-38)41-27-29-47-45-22-10-12-25-54(45)68-56(47)32-41;60-59(61,62)71(65,66)67-42-33-50-51-35-48(36-23-25-39(26-24-36)63(37-13-3-1-4-14-37)40-28-30-55-49(31-40)45-19-10-12-22-54(45)68-55)43-17-7-8-20-47(43)57(51)70-58(50)52(34-42)64(38-15-5-2-6-16-38)41-27-29-46-44-18-9-11-21-53(44)69-56(46)32-41/h1-36H;2*1-35H
• InChIKey: BWIPWRTVDNGDHP-UHFFFAOYSA-N
• XLogP: 53.30
• TPSA: 219.68 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 28
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2978.36
LogP ≤ 5	53.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [8-[3-[[1]benzofuro[2,3-b]pyridin-3-yl(pyridin-3-yl)amino]phenyl]-4-(N-(9-phenylcarbazol-2-yl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[10-(N-dibenzofuran-3-ylanilino)-5-[3-(N-dibenzofuran-3-ylanilino)phenyl]naphtho[1,2-b][1]benzothiol-8-yl] trifluoromethanesulfonate;[10-(N-dibenzothiophen-3-ylanilino)-5-[4-(N-dibenzothiophen-2-ylanilino)phenyl]naphtho[1,2-b][1]benzothiol-8-yl] trifluoromethanesulfonate?

The IUPAC name of [8-[3-[[1]benzofuro[2,3-b]pyridin-3-yl(pyridin-3-yl)amino]phenyl]-4-(N-(9-phenylcarbazol-2-yl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[10-(N-dibenzofuran-3-ylanilino)-5-[3-(N-dibenzofuran-3-ylanilino)phenyl]naphtho[1,2-b][1]benzothiol-8-yl] trifluoromethanesulfonate;[10-(N-dibenzothiophen-3-ylanilino)-5-[4-(N-dibenzothiophen-2-ylanilino)phenyl]naphtho[1,2-b][1]benzothiol-8-yl] trifluoromethanesulfonate (CID 157482735) is [8-[3-[[1]benzofuro[2,3-b]pyridin-3-yl(pyridin-3-yl)amino]phenyl]-4-(N-(9-phenylcarbazol-2-yl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[10-(N-dibenzofuran-3-ylanilino)-5-[3-(N-dibenzofuran-3-ylanilino)phenyl]naphtho[1,2-b][1]benzothiol-8-yl] trifluoromethanesulfonate;[10-(N-dibenzothiophen-3-ylanilino)-5-[4-(N-dibenzothiophen-2-ylanilino)phenyl]naphtho[1,2-b][1]benzothiol-8-yl] trifluoromethanesulfonate.

What is the SMILES notation for [8-[3-[[1]benzofuro[2,3-b]pyridin-3-yl(pyridin-3-yl)amino]phenyl]-4-(N-(9-phenylcarbazol-2-yl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[10-(N-dibenzofuran-3-ylanilino)-5-[3-(N-dibenzofuran-3-ylanilino)phenyl]naphtho[1,2-b][1]benzothiol-8-yl] trifluoromethanesulfonate;[10-(N-dibenzothiophen-3-ylanilino)-5-[4-(N-dibenzothiophen-2-ylanilino)phenyl]naphtho[1,2-b][1]benzothiol-8-yl] trifluoromethanesulfonate?

The canonical SMILES for [8-[3-[[1]benzofuro[2,3-b]pyridin-3-yl(pyridin-3-yl)amino]phenyl]-4-(N-(9-phenylcarbazol-2-yl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[10-(N-dibenzofuran-3-ylanilino)-5-[3-(N-dibenzofuran-3-ylanilino)phenyl]naphtho[1,2-b][1]benzothiol-8-yl] trifluoromethanesulfonate;[10-(N-dibenzothiophen-3-ylanilino)-5-[4-(N-dibenzothiophen-2-ylanilino)phenyl]naphtho[1,2-b][1]benzothiol-8-yl] trifluoromethanesulfonate is O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc3c(c2)oc2ccccc23)c2sc3c4ccccc4c(-c4cccc(N(c5ccccc5)c5ccc6c(c5)oc5ccccc56)c4)cc3c2c1)C(F)(F)F.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc3c(c2)sc2ccccc23)c2sc3c4ccccc4c(-c4ccc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)cc4)cc3c2c1)C(F)(F)F.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2sc3ccc(-c4cccc(N(c5cccnc5)c5cnc6oc7ccccc7c6c5)c4)cc3c2c1)C(F)(F)F.

What is the InChIKey of [8-[3-[[1]benzofuro[2,3-b]pyridin-3-yl(pyridin-3-yl)amino]phenyl]-4-(N-(9-phenylcarbazol-2-yl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[10-(N-dibenzofuran-3-ylanilino)-5-[3-(N-dibenzofuran-3-ylanilino)phenyl]naphtho[1,2-b][1]benzothiol-8-yl] trifluoromethanesulfonate;[10-(N-dibenzothiophen-3-ylanilino)-5-[4-(N-dibenzothiophen-2-ylanilino)phenyl]naphtho[1,2-b][1]benzothiol-8-yl] trifluoromethanesulfonate?

The InChIKey is BWIPWRTVDNGDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36F3N5O4S2.C59H35F3N2O5S2.C59H35F3N2O3S4/c60-59(61,62)73(68,69)71-45-33-50-49-30-38(37-13-11-18-41(29-37)65(43-19-12-28-63-35-43)44-31-51-48-21-8-10-23-55(48)70-58(51)64-36-44)24-27-56(49)72-57(50)54(34-45)66(39-14-3-1-4-15-39)42-25-26-47-46-20-7-9-22-52(46)67(53(47)32-42)40-16-5-2-6-17-40;60-59(61,62)71(65,66)69-42-33-50-51-35-49(36-14-13-19-39(30-36)63(37-15-3-1-4-16-37)40-26-28-46-44-21-9-11-24-53(44)67-55(46)31-40)43-20-7-8-23-48(43)57(51)70-58(50)52(34-42)64(38-17-5-2-6-18-38)41-27-29-47-45-22-10-12-25-54(45)68-56(47)32-41;60-59(61,62)71(65,66)67-42-33-50-51-35-48(36-23-25-39(26-24-36)63(37-13-3-1-4-14-37)40-28-30-55-49(31-40)45-19-10-12-22-54(45)68-55)43-17-7-8-20-47(43)57(51)70-58(50)52(34-42)64(38-15-5-2-6-16-38)41-27-29-46-44-18-9-11-21-53(44)69-56(46)32-41/h1-36H;2*1-35H.

What are the key properties of [8-[3-[[1]benzofuro[2,3-b]pyridin-3-yl(pyridin-3-yl)amino]phenyl]-4-(N-(9-phenylcarbazol-2-yl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[10-(N-dibenzofuran-3-ylanilino)-5-[3-(N-dibenzofuran-3-ylanilino)phenyl]naphtho[1,2-b][1]benzothiol-8-yl] trifluoromethanesulfonate;[10-(N-dibenzothiophen-3-ylanilino)-5-[4-(N-dibenzothiophen-2-ylanilino)phenyl]naphtho[1,2-b][1]benzothiol-8-yl] trifluoromethanesulfonate?

[8-[3-[[1]benzofuro[2,3-b]pyridin-3-yl(pyridin-3-yl)amino]phenyl]-4-(N-(9-phenylcarbazol-2-yl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[10-(N-dibenzofuran-3-ylanilino)-5-[3-(N-dibenzofuran-3-ylanilino)phenyl]naphtho[1,2-b][1]benzothiol-8-yl] trifluoromethanesulfonate;[10-(N-dibenzothiophen-3-ylanilino)-5-[4-(N-dibenzothiophen-2-ylanilino)phenyl]naphtho[1,2-b][1]benzothiol-8-yl] trifluoromethanesulfonate has a molecular weight of 2978.36 g/mol, XLogP of 53.30, 28 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [8-[3-[[1]benzofuro[2,3-b]pyridin-3-yl(pyridin-3-yl)amino]phenyl]-4-(N-(9-phenylcarbazol-2-yl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[10-(N-dibenzofuran-3-ylanilino)-5-[3-(N-dibenzofuran-3-ylanilino)phenyl]naphtho[1,2-b][1]benzothiol-8-yl] trifluoromethanesulfonate;[10-(N-dibenzothiophen-3-ylanilino)-5-[4-(N-dibenzothiophen-2-ylanilino)phenyl]naphtho[1,2-b][1]benzothiol-8-yl] trifluoromethanesulfonate is sourced from PubChem (CID 157482735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).