9-[[3,5-bis[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-2-N,7-N-bis(4-methoxyphenyl)-2-N,7-N-di(spiro[fluorene-9,9'-xanthene]-2-yl)carbazole-2,7-diamine;9-[2-[3-[[4-[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;methane;1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

C164H159F9N16O16S4+4 — CID 159764233

About 9-[[3,5-bis[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-2-N,7-N-bis(4-methoxyphenyl)-2-N,7-N-di(spiro[fluorene-9,9'-xanthene]-2-yl)carbazole-2,7-diamine;9-[2-[3-[[4-[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;methane;1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

9-[[3,5-bis[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-2-N,7-N-bis(4-methoxyphenyl)-2-N,7-N-di(spiro[fluorene-9,9'-xanthene]-2-yl)carbazole-2,7-diamine;9-[2-[3-[[4-[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;methane;1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 159764233) has the molecular formula C164H159F9N16O16S4+4 and a molecular weight of 2909.42 g/mol. Its IUPAC name is 9-[[3,5-bis[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-2-N,7-N-bis(4-methoxyphenyl)-2-N,7-N-di(spiro[fluorene-9,9'-xanthene]-2-yl)carbazole-2,7-diamine;9-[2-[3-[[4-[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;methane;1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

• Compound Name: 9-[[3,5-bis[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-2-N,7-N-bis(4-methoxyphenyl)-2-N,7-N-di(spiro[fluorene-9,9'-xanthene]-2-yl)carbazole-2,7-diamine;9-[2-[3-[[4-[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;methane;1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
• PubChem CID: 159764233
• Molecular Formula: C164H159F9N16O16S4+4
• Molecular Weight: 2909.42 g/mol
• Exact Mass: 2907.08
• IUPAC Name: 9-[[3,5-bis[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-2-N,7-N-bis(4-methoxyphenyl)-2-N,7-N-di(spiro[fluorene-9,9'-xanthene]-2-yl)carbazole-2,7-diamine;9-[2-[3-[[4-[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;methane;1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
• SMILES: C.C.C.C.C.C.C.C=C[n+]1ccn(Cc2cc(Cn3cc[n+](C=C)c3)cc(Cn3c4cc(N(c5ccc(OC)cc5)c5ccc6c(c5)C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)ccc4c4ccc(N(c5ccc(OC)cc5)c5ccc6c(c5)C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)cc43)c2)c1.C=C[n+]1ccn(Cc2ccc(Cn3cc[n+](CCn4c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5c5cc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)ccc54)c3)cc2)c1.CS(=O)(=O)NS(=O)(=O)C(F)(F)F.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C95H71N7O4.C58H55N7O4.C2HF6NO4S2.C2H4F3NO4S2.7CH4/c1-5-96-47-49-98(61-96)58-63-51-64(59-99-50-48-97(6-2)62-99)53-65(52-63)60-100-88-56-70(101(66-31-39-72(103-3)40-32-66)68-35-43-76-74-19-7-9-21-80(74)94(86(76)54-68)82-23-11-15-27-90(82)105-91-28-16-12-24-83(91)94)37-45-78(88)79-46-38-71(57-89(79)100)102(67-33-41-73(104-4)42-34-67)69-36-44-77-75-20-8-10-22-81(75)95(87(77)55-69)84-25-13-17-29-92(84)106-93-30-18-14-26-85(93)95;1-6-59-31-33-61(41-59)39-43-7-9-44(10-8-43)40-62-34-32-60(42-62)35-36-63-57-29-19-49(64(45-11-21-51(66-2)22-12-45)46-13-23-52(67-3)24-14-46)37-55(57)56-38-50(20-30-58(56)63)65(47-15-25-53(68-4)26-16-47)48-17-27-54(69-5)28-18-48;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;1-11(7,8)6-12(9,10)2(3,4)5;;;;;;;/h5-57,61-62H,1-2,58-60H2,3-4H3;6-34,37-38,41-42H,1,35-36,39-40H2,2-5H3;9H;6H,1H3;7*1H4/q2*+2
• InChIKey: PKJJERAWTDFOAF-UHFFFAOYSA-N
• XLogP: 37.17
• TPSA: 292.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 38
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2909.42
LogP ≤ 5	37.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[[3,5-bis[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-2-N,7-N-bis(4-methoxyphenyl)-2-N,7-N-di(spiro[fluorene-9,9'-xanthene]-2-yl)carbazole-2,7-diamine;9-[2-[3-[[4-[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;methane;1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?

The IUPAC name of 9-[[3,5-bis[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-2-N,7-N-bis(4-methoxyphenyl)-2-N,7-N-di(spiro[fluorene-9,9'-xanthene]-2-yl)carbazole-2,7-diamine;9-[2-[3-[[4-[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;methane;1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 159764233) is 9-[[3,5-bis[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-2-N,7-N-bis(4-methoxyphenyl)-2-N,7-N-di(spiro[fluorene-9,9'-xanthene]-2-yl)carbazole-2,7-diamine;9-[2-[3-[[4-[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;methane;1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.

What is the SMILES notation for 9-[[3,5-bis[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-2-N,7-N-bis(4-methoxyphenyl)-2-N,7-N-di(spiro[fluorene-9,9'-xanthene]-2-yl)carbazole-2,7-diamine;9-[2-[3-[[4-[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;methane;1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?

The canonical SMILES for 9-[[3,5-bis[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-2-N,7-N-bis(4-methoxyphenyl)-2-N,7-N-di(spiro[fluorene-9,9'-xanthene]-2-yl)carbazole-2,7-diamine;9-[2-[3-[[4-[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;methane;1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is C.C.C.C.C.C.C.C=C[n+]1ccn(Cc2cc(Cn3cc[n+](C=C)c3)cc(Cn3c4cc(N(c5ccc(OC)cc5)c5ccc6c(c5)C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)ccc4c4ccc(N(c5ccc(OC)cc5)c5ccc6c(c5)C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)cc43)c2)c1.C=C[n+]1ccn(Cc2ccc(Cn3cc[n+](CCn4c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5c5cc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)ccc54)c3)cc2)c1.CS(=O)(=O)NS(=O)(=O)C(F)(F)F.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.

What is the InChIKey of 9-[[3,5-bis[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-2-N,7-N-bis(4-methoxyphenyl)-2-N,7-N-di(spiro[fluorene-9,9'-xanthene]-2-yl)carbazole-2,7-diamine;9-[2-[3-[[4-[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;methane;1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?

The InChIKey is PKJJERAWTDFOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C95H71N7O4.C58H55N7O4.C2HF6NO4S2.C2H4F3NO4S2.7CH4/c1-5-96-47-49-98(61-96)58-63-51-64(59-99-50-48-97(6-2)62-99)53-65(52-63)60-100-88-56-70(101(66-31-39-72(103-3)40-32-66)68-35-43-76-74-19-7-9-21-80(74)94(86(76)54-68)82-23-11-15-27-90(82)105-91-28-16-12-24-83(91)94)37-45-78(88)79-46-38-71(57-89(79)100)102(67-33-41-73(104-4)42-34-67)69-36-44-77-75-20-8-10-22-81(75)95(87(77)55-69)84-25-13-17-29-92(84)106-93-30-18-14-26-85(93)95;1-6-59-31-33-61(41-59)39-43-7-9-44(10-8-43)40-62-34-32-60(42-62)35-36-63-57-29-19-49(64(45-11-21-51(66-2)22-12-45)46-13-23-52(67-3)24-14-46)37-55(57)56-38-50(20-30-58(56)63)65(47-15-25-53(68-4)26-16-47)48-17-27-54(69-5)28-18-48;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;1-11(7,8)6-12(9,10)2(3,4)5;;;;;;;/h5-57,61-62H,1-2,58-60H2,3-4H3;6-34,37-38,41-42H,1,35-36,39-40H2,2-5H3;9H;6H,1H3;7*1H4/q2*+2;;;;;;;;;.

What are the key properties of 9-[[3,5-bis[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-2-N,7-N-bis(4-methoxyphenyl)-2-N,7-N-di(spiro[fluorene-9,9'-xanthene]-2-yl)carbazole-2,7-diamine;9-[2-[3-[[4-[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;methane;1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?

9-[[3,5-bis[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-2-N,7-N-bis(4-methoxyphenyl)-2-N,7-N-di(spiro[fluorene-9,9'-xanthene]-2-yl)carbazole-2,7-diamine;9-[2-[3-[[4-[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;methane;1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 2909.42 g/mol, XLogP of 37.17, 38 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[[3,5-bis[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-2-N,7-N-bis(4-methoxyphenyl)-2-N,7-N-di(spiro[fluorene-9,9'-xanthene]-2-yl)carbazole-2,7-diamine;9-[2-[3-[[4-[(3-ethenylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;methane;1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 159764233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).