[4-(N-[9-[[4-[[1,3-bis(ethenyl)-4,5-dimethylimidazol-1-ium-2-yl]methyl]phenyl]methyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;2-[4-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]-N-[6-[N-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-4-(2-hydroxyethyl)anilino]-9-[(4-ethenylphenyl)methyl]carbazol-3-yl]anilino]phenyl]ethanol;tris(methylsulfonyl(trifluoromethylsulfonyl)azanide)

C126H124F9N15O20S6 — CID 160699306

About [4-(N-[9-[[4-[[1,3-bis(ethenyl)-4,5-dimethylimidazol-1-ium-2-yl]methyl]phenyl]methyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;2-[4-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]-N-[6-[N-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-4-(2-hydroxyethyl)anilino]-9-[(4-ethenylphenyl)methyl]carbazol-3-yl]anilino]phenyl]ethanol;tris(methylsulfonyl(trifluoromethylsulfonyl)azanide)

[4-(N-[9-[[4-[[1,3-bis(ethenyl)-4,5-dimethylimidazol-1-ium-2-yl]methyl]phenyl]methyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;2-[4-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]-N-[6-[N-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-4-(2-hydroxyethyl)anilino]-9-[(4-ethenylphenyl)methyl]carbazol-3-yl]anilino]phenyl]ethanol;tris(methylsulfonyl(trifluoromethylsulfonyl)azanide) (PubChem CID 160699306) has the molecular formula C126H124F9N15O20S6 and a molecular weight of 2531.85 g/mol. Its IUPAC name is [4-(N-[9-[[4-[[1,3-bis(ethenyl)-4,5-dimethylimidazol-1-ium-2-yl]methyl]phenyl]methyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;2-[4-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]-N-[6-[N-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-4-(2-hydroxyethyl)anilino]-9-[(4-ethenylphenyl)methyl]carbazol-3-yl]anilino]phenyl]ethanol;tris(methylsulfonyl(trifluoromethylsulfonyl)azanide).

Molecular Properties

• Compound Name: [4-(N-[9-[[4-[[1,3-bis(ethenyl)-4,5-dimethylimidazol-1-ium-2-yl]methyl]phenyl]methyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;2-[4-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]-N-[6-[N-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-4-(2-hydroxyethyl)anilino]-9-[(4-ethenylphenyl)methyl]carbazol-3-yl]anilino]phenyl]ethanol;tris(methylsulfonyl(trifluoromethylsulfonyl)azanide)
• PubChem CID: 160699306
• Molecular Formula: C126H124F9N15O20S6
• Molecular Weight: 2531.85 g/mol
• Exact Mass: 2529.73
• IUPAC Name: [4-(N-[9-[[4-[[1,3-bis(ethenyl)-4,5-dimethylimidazol-1-ium-2-yl]methyl]phenyl]methyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;2-[4-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]-N-[6-[N-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-4-(2-hydroxyethyl)anilino]-9-[(4-ethenylphenyl)methyl]carbazol-3-yl]anilino]phenyl]ethanol;tris(methylsulfonyl(trifluoromethylsulfonyl)azanide)
• SMILES: C=Cc1ccc(Cn2c3ccc(N(c4ccc(CCO)cc4)c4ccc(COCn5cc[n+](C=C)c5)cc4)cc3c3cc(N(c4ccc(CCO)cc4)c4ccc(COCn5cc[n+](C=C)c5)cc4)ccc32)cc1.C=Cn1c(C)c(C)[n+](C=C)c1Cc1ccc(Cn2c3ccc(N(c4ccc(CO)cc4)c4ccc(OC)cc4)cc3c3cc(N(c4ccc(CO)cc4)c4ccc(OC)cc4)ccc32)cc1.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
• InChI: InChI=1S/C63H61N7O4.C57H54N5O4.3C2H3F3NO4S2/c1-4-48-7-9-51(10-8-48)41-68-62-29-27-58(69(54-19-11-49(12-20-54)31-37-71)56-23-15-52(16-24-56)42-73-46-66-35-33-64(5-2)44-66)39-60(62)61-40-59(28-30-63(61)68)70(55-21-13-50(14-22-55)32-38-72)57-25-17-53(18-26-57)43-74-47-67-36-34-65(6-3)45-67;1-7-58-39(3)40(4)59(8-2)57(58)33-41-9-11-42(12-10-41)36-60-55-31-25-49(61(45-17-13-43(37-63)14-18-45)47-21-27-51(65-5)28-22-47)34-53(55)54-35-50(26-32-56(54)60)62(46-19-15-44(38-64)16-20-46)48-23-29-52(66-6)30-24-48;3*1-11(7,8)6-12(9,10)2(3,4)5/h4-30,33-36,39-40,44-45,71-72H,1-3,31-32,37-38,41-43,46-47H2;7-32,34-35,63-64H,1-2,33,36-38H2,3-6H3;3*1H3/q+2;+1;3*-1
• InChIKey: QRJOEQRGHKCVCS-UHFFFAOYSA-N
• XLogP: 25.01
• TPSA: 414.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 45
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2531.85
LogP ≤ 5	25.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(N-[9-[[4-[[1,3-bis(ethenyl)-4,5-dimethylimidazol-1-ium-2-yl]methyl]phenyl]methyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;2-[4-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]-N-[6-[N-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-4-(2-hydroxyethyl)anilino]-9-[(4-ethenylphenyl)methyl]carbazol-3-yl]anilino]phenyl]ethanol;tris(methylsulfonyl(trifluoromethylsulfonyl)azanide)?

The IUPAC name of [4-(N-[9-[[4-[[1,3-bis(ethenyl)-4,5-dimethylimidazol-1-ium-2-yl]methyl]phenyl]methyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;2-[4-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]-N-[6-[N-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-4-(2-hydroxyethyl)anilino]-9-[(4-ethenylphenyl)methyl]carbazol-3-yl]anilino]phenyl]ethanol;tris(methylsulfonyl(trifluoromethylsulfonyl)azanide) (CID 160699306) is [4-(N-[9-[[4-[[1,3-bis(ethenyl)-4,5-dimethylimidazol-1-ium-2-yl]methyl]phenyl]methyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;2-[4-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]-N-[6-[N-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-4-(2-hydroxyethyl)anilino]-9-[(4-ethenylphenyl)methyl]carbazol-3-yl]anilino]phenyl]ethanol;tris(methylsulfonyl(trifluoromethylsulfonyl)azanide).

What is the SMILES notation for [4-(N-[9-[[4-[[1,3-bis(ethenyl)-4,5-dimethylimidazol-1-ium-2-yl]methyl]phenyl]methyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;2-[4-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]-N-[6-[N-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-4-(2-hydroxyethyl)anilino]-9-[(4-ethenylphenyl)methyl]carbazol-3-yl]anilino]phenyl]ethanol;tris(methylsulfonyl(trifluoromethylsulfonyl)azanide)?

The canonical SMILES for [4-(N-[9-[[4-[[1,3-bis(ethenyl)-4,5-dimethylimidazol-1-ium-2-yl]methyl]phenyl]methyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;2-[4-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]-N-[6-[N-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-4-(2-hydroxyethyl)anilino]-9-[(4-ethenylphenyl)methyl]carbazol-3-yl]anilino]phenyl]ethanol;tris(methylsulfonyl(trifluoromethylsulfonyl)azanide) is C=Cc1ccc(Cn2c3ccc(N(c4ccc(CCO)cc4)c4ccc(COCn5cc[n+](C=C)c5)cc4)cc3c3cc(N(c4ccc(CCO)cc4)c4ccc(COCn5cc[n+](C=C)c5)cc4)ccc32)cc1.C=Cn1c(C)c(C)[n+](C=C)c1Cc1ccc(Cn2c3ccc(N(c4ccc(CO)cc4)c4ccc(OC)cc4)cc3c3cc(N(c4ccc(CO)cc4)c4ccc(OC)cc4)ccc32)cc1.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.

What is the InChIKey of [4-(N-[9-[[4-[[1,3-bis(ethenyl)-4,5-dimethylimidazol-1-ium-2-yl]methyl]phenyl]methyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;2-[4-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]-N-[6-[N-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-4-(2-hydroxyethyl)anilino]-9-[(4-ethenylphenyl)methyl]carbazol-3-yl]anilino]phenyl]ethanol;tris(methylsulfonyl(trifluoromethylsulfonyl)azanide)?

The InChIKey is QRJOEQRGHKCVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H61N7O4.C57H54N5O4.3C2H3F3NO4S2/c1-4-48-7-9-51(10-8-48)41-68-62-29-27-58(69(54-19-11-49(12-20-54)31-37-71)56-23-15-52(16-24-56)42-73-46-66-35-33-64(5-2)44-66)39-60(62)61-40-59(28-30-63(61)68)70(55-21-13-50(14-22-55)32-38-72)57-25-17-53(18-26-57)43-74-47-67-36-34-65(6-3)45-67;1-7-58-39(3)40(4)59(8-2)57(58)33-41-9-11-42(12-10-41)36-60-55-31-25-49(61(45-17-13-43(37-63)14-18-45)47-21-27-51(65-5)28-22-47)34-53(55)54-35-50(26-32-56(54)60)62(46-19-15-44(38-64)16-20-46)48-23-29-52(66-6)30-24-48;3*1-11(7,8)6-12(9,10)2(3,4)5/h4-30,33-36,39-40,44-45,71-72H,1-3,31-32,37-38,41-43,46-47H2;7-32,34-35,63-64H,1-2,33,36-38H2,3-6H3;3*1H3/q+2;+1;3*-1.

What are the key properties of [4-(N-[9-[[4-[[1,3-bis(ethenyl)-4,5-dimethylimidazol-1-ium-2-yl]methyl]phenyl]methyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;2-[4-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]-N-[6-[N-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-4-(2-hydroxyethyl)anilino]-9-[(4-ethenylphenyl)methyl]carbazol-3-yl]anilino]phenyl]ethanol;tris(methylsulfonyl(trifluoromethylsulfonyl)azanide)?

[4-(N-[9-[[4-[[1,3-bis(ethenyl)-4,5-dimethylimidazol-1-ium-2-yl]methyl]phenyl]methyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;2-[4-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]-N-[6-[N-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-4-(2-hydroxyethyl)anilino]-9-[(4-ethenylphenyl)methyl]carbazol-3-yl]anilino]phenyl]ethanol;tris(methylsulfonyl(trifluoromethylsulfonyl)azanide) has a molecular weight of 2531.85 g/mol, XLogP of 25.01, 45 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(N-[9-[[4-[[1,3-bis(ethenyl)-4,5-dimethylimidazol-1-ium-2-yl]methyl]phenyl]methyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol;2-[4-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]-N-[6-[N-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-4-(2-hydroxyethyl)anilino]-9-[(4-ethenylphenyl)methyl]carbazol-3-yl]anilino]phenyl]ethanol;tris(methylsulfonyl(trifluoromethylsulfonyl)azanide) is sourced from PubChem (CID 160699306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).