9,9-bis[4-[(3-ethenylimidazol-3-ium-1-yl)methoxy]phenyl]-2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)fluorene-2,7-diamine;[4-[[2-[bis(4-methoxyphenyl)methyl]-7'-[[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-(4-methylphenyl)methyl]-7-[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]methyl]phenyl]methanol;methane;N-methylsulfonylmethanesulfonamide;tris(1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide)

C178H195F9N14O30S8+4 — CID 159177854

About 9,9-bis[4-[(3-ethenylimidazol-3-ium-1-yl)methoxy]phenyl]-2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)fluorene-2,7-diamine;[4-[[2-[bis(4-methoxyphenyl)methyl]-7'-[[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-(4-methylphenyl)methyl]-7-[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]methyl]phenyl]methanol;methane;N-methylsulfonylmethanesulfonamide;tris(1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide)

9,9-bis[4-[(3-ethenylimidazol-3-ium-1-yl)methoxy]phenyl]-2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)fluorene-2,7-diamine;[4-[[2-[bis(4-methoxyphenyl)methyl]-7'-[[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-(4-methylphenyl)methyl]-7-[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]methyl]phenyl]methanol;methane;N-methylsulfonylmethanesulfonamide;tris(1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide) (PubChem CID 159177854) has the molecular formula C178H195F9N14O30S8+4 and a molecular weight of 3438.10 g/mol. Its IUPAC name is 9,9-bis[4-[(3-ethenylimidazol-3-ium-1-yl)methoxy]phenyl]-2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)fluorene-2,7-diamine;[4-[[2-[bis(4-methoxyphenyl)methyl]-7'-[[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-(4-methylphenyl)methyl]-7-[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]methyl]phenyl]methanol;methane;N-methylsulfonylmethanesulfonamide;tris(1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide).

Molecular Properties

• Compound Name: 9,9-bis[4-[(3-ethenylimidazol-3-ium-1-yl)methoxy]phenyl]-2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)fluorene-2,7-diamine;[4-[[2-[bis(4-methoxyphenyl)methyl]-7'-[[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-(4-methylphenyl)methyl]-7-[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]methyl]phenyl]methanol;methane;N-methylsulfonylmethanesulfonamide;tris(1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide)
• PubChem CID: 159177854
• Molecular Formula: C178H195F9N14O30S8+4
• Molecular Weight: 3438.10 g/mol
• Exact Mass: 3435.18
• IUPAC Name: 9,9-bis[4-[(3-ethenylimidazol-3-ium-1-yl)methoxy]phenyl]-2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)fluorene-2,7-diamine;[4-[[2-[bis(4-methoxyphenyl)methyl]-7'-[[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-(4-methylphenyl)methyl]-7-[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]methyl]phenyl]methanol;methane;N-methylsulfonylmethanesulfonamide;tris(1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide)
• SMILES: C.C.C.C.C.C.C.C.C=C[n+]1ccn(COCc2ccc(C(c3ccc(C)cc3)c3ccc4c(c3)C3(c5cc(C(c6ccc(CO)cc6)c6ccc(COCn7cc[n+](C=C)c7)cc6)ccc5O4)c4cc(C(c5ccc(CO)cc5)c5ccc(OC)cc5)ccc4-c4ccc(C(c5ccc(OC)cc5)c5ccc(OC)cc5)cc43)cc2)c1.C=C[n+]1ccn(COc2ccc(C3(c4ccc(OCn5cc[n+](C=C)c5)cc4)c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc4-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc43)cc2)c1.CS(=O)(=O)NS(=O)(=O)C(F)(F)F.CS(=O)(=O)NS(=O)(=O)C(F)(F)F.CS(=O)(=O)NS(=O)(=O)C(F)(F)F.CS(=O)(=O)NS(C)(=O)=O
• InChI: InChI=1S/C97H86N4O8.C65H58N6O6.3C2H4F3NO4S2.C2H7NO4S2.8CH4/c1-7-98-49-51-100(61-98)63-107-59-68-15-25-73(26-16-68)93(70-19-9-65(3)10-20-70)80-37-47-91-89(55-80)97(90-56-81(38-48-92(90)109-91)94(71-21-11-66(57-102)12-22-71)74-27-17-69(18-28-74)60-108-64-101-52-50-99(8-2)62-101)87-53-78(95(72-23-13-67(58-103)14-24-72)75-29-39-82(104-4)40-30-75)35-45-85(87)86-46-36-79(54-88(86)97)96(76-31-41-83(105-5)42-32-76)77-33-43-84(106-6)44-34-77;1-7-66-37-39-68(43-66)45-76-59-23-9-47(10-24-59)65(48-11-25-60(26-12-48)77-46-69-40-38-67(8-2)44-69)63-41-53(70(49-13-27-55(72-3)28-14-49)50-15-29-56(73-4)30-16-50)21-35-61(63)62-36-22-54(42-64(62)65)71(51-17-31-57(74-5)32-18-51)52-19-33-58(75-6)34-20-52;3*1-11(7,8)6-12(9,10)2(3,4)5;1-8(4,5)3-9(2,6)7;;;;;;;;/h7-56,61-62,93-96,102-103H,1-2,57-60,63-64H2,3-6H3;7-44H,1-2,45-46H2,3-6H3;3*6H,1H3;3H,1-2H3;8*1H4/q2*+2
• InChIKey: ZNBPOYLMXLXAJP-UHFFFAOYSA-N
• XLogP: 34.14
• TPSA: 514.18 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 55
• Heavy Atoms: 239
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3438.10
LogP ≤ 5	34.14
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,9-bis[4-[(3-ethenylimidazol-3-ium-1-yl)methoxy]phenyl]-2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)fluorene-2,7-diamine;[4-[[2-[bis(4-methoxyphenyl)methyl]-7'-[[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-(4-methylphenyl)methyl]-7-[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]methyl]phenyl]methanol;methane;N-methylsulfonylmethanesulfonamide;tris(1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide)?

The IUPAC name of 9,9-bis[4-[(3-ethenylimidazol-3-ium-1-yl)methoxy]phenyl]-2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)fluorene-2,7-diamine;[4-[[2-[bis(4-methoxyphenyl)methyl]-7'-[[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-(4-methylphenyl)methyl]-7-[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]methyl]phenyl]methanol;methane;N-methylsulfonylmethanesulfonamide;tris(1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide) (CID 159177854) is 9,9-bis[4-[(3-ethenylimidazol-3-ium-1-yl)methoxy]phenyl]-2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)fluorene-2,7-diamine;[4-[[2-[bis(4-methoxyphenyl)methyl]-7'-[[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-(4-methylphenyl)methyl]-7-[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]methyl]phenyl]methanol;methane;N-methylsulfonylmethanesulfonamide;tris(1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide).

What is the SMILES notation for 9,9-bis[4-[(3-ethenylimidazol-3-ium-1-yl)methoxy]phenyl]-2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)fluorene-2,7-diamine;[4-[[2-[bis(4-methoxyphenyl)methyl]-7'-[[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-(4-methylphenyl)methyl]-7-[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]methyl]phenyl]methanol;methane;N-methylsulfonylmethanesulfonamide;tris(1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide)?

The canonical SMILES for 9,9-bis[4-[(3-ethenylimidazol-3-ium-1-yl)methoxy]phenyl]-2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)fluorene-2,7-diamine;[4-[[2-[bis(4-methoxyphenyl)methyl]-7'-[[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-(4-methylphenyl)methyl]-7-[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]methyl]phenyl]methanol;methane;N-methylsulfonylmethanesulfonamide;tris(1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide) is C.C.C.C.C.C.C.C.C=C[n+]1ccn(COCc2ccc(C(c3ccc(C)cc3)c3ccc4c(c3)C3(c5cc(C(c6ccc(CO)cc6)c6ccc(COCn7cc[n+](C=C)c7)cc6)ccc5O4)c4cc(C(c5ccc(CO)cc5)c5ccc(OC)cc5)ccc4-c4ccc(C(c5ccc(OC)cc5)c5ccc(OC)cc5)cc43)cc2)c1.C=C[n+]1ccn(COc2ccc(C3(c4ccc(OCn5cc[n+](C=C)c5)cc4)c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc4-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc43)cc2)c1.CS(=O)(=O)NS(=O)(=O)C(F)(F)F.CS(=O)(=O)NS(=O)(=O)C(F)(F)F.CS(=O)(=O)NS(=O)(=O)C(F)(F)F.CS(=O)(=O)NS(C)(=O)=O.

What is the InChIKey of 9,9-bis[4-[(3-ethenylimidazol-3-ium-1-yl)methoxy]phenyl]-2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)fluorene-2,7-diamine;[4-[[2-[bis(4-methoxyphenyl)methyl]-7'-[[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-(4-methylphenyl)methyl]-7-[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]methyl]phenyl]methanol;methane;N-methylsulfonylmethanesulfonamide;tris(1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide)?

The InChIKey is ZNBPOYLMXLXAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H86N4O8.C65H58N6O6.3C2H4F3NO4S2.C2H7NO4S2.8CH4/c1-7-98-49-51-100(61-98)63-107-59-68-15-25-73(26-16-68)93(70-19-9-65(3)10-20-70)80-37-47-91-89(55-80)97(90-56-81(38-48-92(90)109-91)94(71-21-11-66(57-102)12-22-71)74-27-17-69(18-28-74)60-108-64-101-52-50-99(8-2)62-101)87-53-78(95(72-23-13-67(58-103)14-24-72)75-29-39-82(104-4)40-30-75)35-45-85(87)86-46-36-79(54-88(86)97)96(76-31-41-83(105-5)42-32-76)77-33-43-84(106-6)44-34-77;1-7-66-37-39-68(43-66)45-76-59-23-9-47(10-24-59)65(48-11-25-60(26-12-48)77-46-69-40-38-67(8-2)44-69)63-41-53(70(49-13-27-55(72-3)28-14-49)50-15-29-56(73-4)30-16-50)21-35-61(63)62-36-22-54(42-64(62)65)71(51-17-31-57(74-5)32-18-51)52-19-33-58(75-6)34-20-52;3*1-11(7,8)6-12(9,10)2(3,4)5;1-8(4,5)3-9(2,6)7;;;;;;;;/h7-56,61-62,93-96,102-103H,1-2,57-60,63-64H2,3-6H3;7-44H,1-2,45-46H2,3-6H3;3*6H,1H3;3H,1-2H3;8*1H4/q2*+2;;;;;;;;;;;;.

What are the key properties of 9,9-bis[4-[(3-ethenylimidazol-3-ium-1-yl)methoxy]phenyl]-2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)fluorene-2,7-diamine;[4-[[2-[bis(4-methoxyphenyl)methyl]-7'-[[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-(4-methylphenyl)methyl]-7-[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]methyl]phenyl]methanol;methane;N-methylsulfonylmethanesulfonamide;tris(1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide)?

9,9-bis[4-[(3-ethenylimidazol-3-ium-1-yl)methoxy]phenyl]-2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)fluorene-2,7-diamine;[4-[[2-[bis(4-methoxyphenyl)methyl]-7'-[[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-(4-methylphenyl)methyl]-7-[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]methyl]phenyl]methanol;methane;N-methylsulfonylmethanesulfonamide;tris(1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide) has a molecular weight of 3438.10 g/mol, XLogP of 34.14, 55 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-bis[4-[(3-ethenylimidazol-3-ium-1-yl)methoxy]phenyl]-2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)fluorene-2,7-diamine;[4-[[2-[bis(4-methoxyphenyl)methyl]-7'-[[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-(4-methylphenyl)methyl]-7-[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]methyl]phenyl]methanol;methane;N-methylsulfonylmethanesulfonamide;tris(1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide) is sourced from PubChem (CID 159177854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).