[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

C165H99F9N6O11S5 — CID 159758294

IUPAC[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
SMILESO=S(=O)(Oc1cc(N(c2ccccc2)c2ccc3ccccc3c2)c2oc3c4ccccc4c(-c4ccc5c(c4)c4cc6ccccc6cc4n5-c4ccccc4)cc3c2c1)C(F)(F)F.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc3sc4ccccc4c3c2)c2oc3c4ccccc4c(-c4cc5c6ccccc6n(-c6ccccc6)c5c5ccccc45)cc3c2c1)C(F)(F)F.[2H]c1cc(N(c2ccc(-c3ccccc3)cc2)c2cc(OS(=O)(=O)C(F)(F)F)cc3c2sc2ccc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4ccccc4)cc23)c([2H])c([2H])c1[2H]
InChIInChI=1S/C57H33F3N2O4S2.C55H33F3N2O4S.C53H33F3N2O3S2/c58-57(59,60)68(63,64)66-37-30-48-49-33-45(44-32-47-40-21-11-13-25-50(40)62(35-17-5-2-6-18-35)54(47)42-23-9-7-19-38(42)44)39-20-8-10-24-43(39)55(49)65-56(48)51(31-37)61(34-15-3-1-4-16-34)36-27-28-53-46(29-36)41-22-12-14-26-52(41)67-53;56-55(57,58)65(61,62)64-42-31-48-49-33-45(38-24-26-50-46(29-38)47-28-36-15-9-10-16-37(36)30-51(47)60(50)40-19-5-2-6-20-40)43-21-11-12-22-44(43)53(49)63-54(48)52(32-42)59(39-17-3-1-4-18-39)41-25-23-34-13-7-8-14-35(34)27-41;54-53(55,56)63(59,60)61-42-32-45-44-30-38(37-23-27-47-46(31-37)51-43-19-11-10-14-36(43)22-28-48(51)58(47)40-17-8-3-9-18-40)24-29-50(44)62-52(45)49(33-42)57(39-15-6-2-7-16-39)41-25-20-35(21-26-41)34-12-4-1-5-13-34/h1-33H;1-33H;1-33H/i;;2D,6D,7D,15D
InChIKeyNENYLNZXEIWQBI-KCSWWQJFSA-N
MW2676.98 g/mol
LogP47.57
Rot. Bonds22

About [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

[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 (PubChem CID 159758294) has the molecular formula C165H99F9N6O11S5 and a molecular weight of 2676.98 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID159758294
Molecular FormulaC165H99F9N6O11S5
Molecular Weight2676.98 g/mol
Exact Mass2674.61
IUPAC Name[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
SMILESO=S(=O)(Oc1cc(N(c2ccccc2)c2ccc3ccccc3c2)c2oc3c4ccccc4c(-c4ccc5c(c4)c4cc6ccccc6cc4n5-c4ccccc4)cc3c2c1)C(F)(F)F.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc3sc4ccccc4c3c2)c2oc3c4ccccc4c(-c4cc5c6ccccc6n(-c6ccccc6)c5c5ccccc45)cc3c2c1)C(F)(F)F.[2H]c1cc(N(c2ccc(-c3ccccc3)cc2)c2cc(OS(=O)(=O)C(F)(F)F)cc3c2sc2ccc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4ccccc4)cc23)c([2H])c([2H])c1[2H]
InChIInChI=1S/C57H33F3N2O4S2.C55H33F3N2O4S.C53H33F3N2O3S2/c58-57(59,60)68(63,64)66-37-30-48-49-33-45(44-32-47-40-21-11-13-25-50(40)62(35-17-5-2-6-18-35)54(47)42-23-9-7-19-38(42)44)39-20-8-10-24-43(39)55(49)65-56(48)51(31-37)61(34-15-3-1-4-16-34)36-27-28-53-46(29-36)41-22-12-14-26-52(41)67-53;56-55(57,58)65(61,62)64-42-31-48-49-33-45(38-24-26-50-46(29-38)47-28-36-15-9-10-16-37(36)30-51(47)60(50)40-19-5-2-6-20-40)43-21-11-12-22-44(43)53(49)63-54(48)52(32-42)59(39-17-3-1-4-18-39)41-25-23-34-13-7-8-14-35(34)27-41;54-53(55,56)63(59,60)61-42-32-45-44-30-38(37-23-27-47-46(31-37)51-43-19-11-10-14-36(43)22-28-48(51)58(47)40-17-8-3-9-18-40)24-29-50(44)62-52(45)49(33-42)57(39-15-6-2-7-16-39)41-25-20-35(21-26-41)34-12-4-1-5-13-34/h1-33H;1-33H;1-33H/i;;2D,6D,7D,15D
InChIKeyNENYLNZXEIWQBI-KCSWWQJFSA-N
XLogP47.57
TPSA180.90 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds22
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002676.98
LogP ≤ 547.57
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 [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 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
[10-(N-naphthalen-2-ylanilino)-5-(5-phenylbenzo[b]carbazol-2-yl)naphtho[1,2-b][1]benzofuran-8-yl] trifluoromethanesulfonate
CID 153311596
[8-naphtho[1,2-b][1]benzothiol-7-yl-4-(N-(9-phenylcarbazol-2-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate
CID 153311598
[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 153311612
[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-17-yl)-4-(N-(9-phenylcarbazol-3-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate
CID 153311625
[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

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc3ccccc3c2)c2oc3c4ccccc4c(-c4ccc5c(c4)c4cc6ccccc6cc4n5-c4ccccc4)cc3c2c1)C(F)(F)F.O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc3sc4ccccc4c3c2)c2oc3c4ccccc4c(-c4cc5c6ccccc6n(-c6ccccc6)c5c5ccccc45)cc3c2c1)C(F)(F)F.[2H]c1cc(N(c2ccc(-c3ccccc3)cc2)c2cc(OS(=O)(=O)C(F)(F)F)cc3c2sc2ccc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4ccccc4)cc23)c([2H])c([2H])c1[2H].
What is the InChIKey of [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?
The InChIKey is NENYLNZXEIWQBI-KCSWWQJFSA-N. The full InChI is InChI=1S/C57H33F3N2O4S2.C55H33F3N2O4S.C53H33F3N2O3S2/c58-57(59,60)68(63,64)66-37-30-48-49-33-45(44-32-47-40-21-11-13-25-50(40)62(35-17-5-2-6-18-35)54(47)42-23-9-7-19-38(42)44)39-20-8-10-24-43(39)55(49)65-56(48)51(31-37)61(34-15-3-1-4-16-34)36-27-28-53-46(29-36)41-22-12-14-26-52(41)67-53;56-55(57,58)65(61,62)64-42-31-48-49-33-45(38-24-26-50-46(29-38)47-28-36-15-9-10-16-37(36)30-51(47)60(50)40-19-5-2-6-20-40)43-21-11-12-22-44(43)53(49)63-54(48)52(32-42)59(39-17-3-1-4-18-39)41-25-23-34-13-7-8-14-35(34)27-41;54-53(55,56)63(59,60)61-42-32-45-44-30-38(37-23-27-47-46(31-37)51-43-19-11-10-14-36(43)22-28-48(51)58(47)40-17-8-3-9-18-40)24-29-50(44)62-52(45)49(33-42)57(39-15-6-2-7-16-39)41-25-20-35(21-26-41)34-12-4-1-5-13-34/h1-33H;1-33H;1-33H/i;;2D,6D,7D,15D.
What are the key properties of [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?
[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 has a molecular weight of 2676.98 g/mol, XLogP of 47.57, 22 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 159758294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).