1-[[4-[[2,7-bis[bis(4-methoxyphenyl)methyl]-7'-[[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-(4-methoxyphenyl)methyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-(4-methylphenyl)methyl]phenyl]methoxymethyl]-3-ethenylimidazol-3-ium;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;tetrakis(bis(trifluoromethylsulfonyl)azanide)

C200H157F24N15O28S8 — CID 160787397

IUPAC1-[[4-[[2,7-bis[bis(4-methoxyphenyl)methyl]-7'-[[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-(4-methoxyphenyl)methyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-(4-methylphenyl)methyl]phenyl]methoxymethyl]-3-ethenylimidazol-3-ium;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;tetrakis(bis(trifluoromethylsulfonyl)azanide)
SMILESC=C[n+]1ccn(COCc2ccc(C(c3ccc(C)cc3)c3ccc4c(c3)C3(c5cc(C(c6ccc(COCn7cc[n+](C=C)c7)cc6)c6ccc(OC)cc6)ccc5O4)c4cc(C(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc4-c4ccc(C(c5ccc(OC)cc5)c5ccc(OC)cc5)cc43)cc2)c1.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.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C97H86N4O8.C95H71N7O4.4C2F6NO4S2/c1-9-98-51-53-100(61-98)63-107-59-66-13-19-69(20-14-66)93(68-17-11-65(3)12-18-68)78-35-49-91-89(57-78)97(90-58-79(36-50-92(90)109-91)94(71-23-37-80(102-4)38-24-71)70-21-15-67(16-22-70)60-108-64-101-54-52-99(10-2)62-101)87-55-76(95(72-25-39-81(103-5)40-26-72)73-27-41-82(104-6)42-28-73)33-47-85(87)86-48-34-77(56-88(86)97)96(74-29-43-83(105-7)44-30-74)75-31-45-84(106-8)46-32-75;1-5-96-47-49-98(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;4*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h9-58,61-62,93-96H,1-2,59-60,63-64H2,3-8H3;5-57,61-62H,1-2,58-60H2,3-4H3;;;;/q2*+2;4*-1
InChIKeySBJSDFREBRGNBG-UHFFFAOYSA-N
MW3931.02 g/mol
LogP45.41
Rot. Bonds51

About 1-[[4-[[2,7-bis[bis(4-methoxyphenyl)methyl]-7'-[[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-(4-methoxyphenyl)methyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-(4-methylphenyl)methyl]phenyl]methoxymethyl]-3-ethenylimidazol-3-ium;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;tetrakis(bis(trifluoromethylsulfonyl)azanide)

1-[[4-[[2,7-bis[bis(4-methoxyphenyl)methyl]-7'-[[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-(4-methoxyphenyl)methyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-(4-methylphenyl)methyl]phenyl]methoxymethyl]-3-ethenylimidazol-3-ium;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;tetrakis(bis(trifluoromethylsulfonyl)azanide) (PubChem CID 160787397) has the molecular formula C200H157F24N15O28S8 and a molecular weight of 3931.02 g/mol. Its IUPAC name is 1-[[4-[[2,7-bis[bis(4-methoxyphenyl)methyl]-7'-[[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-(4-methoxyphenyl)methyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-(4-methylphenyl)methyl]phenyl]methoxymethyl]-3-ethenylimidazol-3-ium;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;tetrakis(bis(trifluoromethylsulfonyl)azanide).

Molecular Properties

Compound Name1-[[4-[[2,7-bis[bis(4-methoxyphenyl)methyl]-7'-[[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-(4-methoxyphenyl)methyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-(4-methylphenyl)methyl]phenyl]methoxymethyl]-3-ethenylimidazol-3-ium;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;tetrakis(bis(trifluoromethylsulfonyl)azanide)
PubChem CID160787397
Molecular FormulaC200H157F24N15O28S8
Molecular Weight3931.02 g/mol
Exact Mass3927.87
IUPAC Name1-[[4-[[2,7-bis[bis(4-methoxyphenyl)methyl]-7'-[[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-(4-methoxyphenyl)methyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-(4-methylphenyl)methyl]phenyl]methoxymethyl]-3-ethenylimidazol-3-ium;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;tetrakis(bis(trifluoromethylsulfonyl)azanide)
SMILESC=C[n+]1ccn(COCc2ccc(C(c3ccc(C)cc3)c3ccc4c(c3)C3(c5cc(C(c6ccc(COCn7cc[n+](C=C)c7)cc6)c6ccc(OC)cc6)ccc5O4)c4cc(C(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc4-c4ccc(C(c5ccc(OC)cc5)c5ccc(OC)cc5)cc43)cc2)c1.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.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C97H86N4O8.C95H71N7O4.4C2F6NO4S2/c1-9-98-51-53-100(61-98)63-107-59-66-13-19-69(20-14-66)93(68-17-11-65(3)12-18-68)78-35-49-91-89(57-78)97(90-58-79(36-50-92(90)109-91)94(71-23-37-80(102-4)38-24-71)70-21-15-67(16-22-70)60-108-64-101-54-52-99(10-2)62-101)87-55-76(95(72-25-39-81(103-5)40-26-72)73-27-41-82(104-6)42-28-73)33-47-85(87)86-48-34-77(56-88(86)97)96(74-29-43-83(105-7)44-30-74)75-31-45-84(106-8)46-32-75;1-5-96-47-49-98(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;4*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h9-58,61-62,93-96H,1-2,59-60,63-64H2,3-8H3;5-57,61-62H,1-2,58-60H2,3-4H3;;;;/q2*+2;4*-1
InChIKeySBJSDFREBRGNBG-UHFFFAOYSA-N
XLogP45.41
TPSA486.93 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds51
Heavy Atoms275
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003931.02
LogP ≤ 545.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 1-[[4-[[2,7-bis[bis(4-methoxyphenyl)methyl]-7'-[[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-(4-methoxyphenyl)methyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-(4-methylphenyl)methyl]phenyl]methoxymethyl]-3-ethenylimidazol-3-ium;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;tetrakis(bis(trifluoromethylsulfonyl)azanide) with MolForge

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Related Compounds

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;[4-[[2-[bis(4-methoxyphenyl)methyl]-7'-[[4-[(3-ethylimidazol-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;bis(methylsulfonyl)azanide;tris(methylsulfonyl(trifluoromethylsulfonyl)azanide)
CID 157071154
9-[[4-[[1,3-bis(ethenyl)-4,5-dimethylimidazol-1-ium-2-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;tris(bis(trifluoromethylsulfonyl)azanide);3-N-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]-2-[4-(methoxymethyl)phenyl]phenyl]-6-N-[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-9-[(4-ethenylphenyl)methyl]-6-N-[4-(methoxymethyl)phenyl]carbazole-3,6-diamine
CID 157415901
9-[2-[3-[[4-[[3-[2-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]ethyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-3-N,6-N,6-N-tris(4-methoxyphenyl)-3-N-(4-methylphenyl)carbazole-3,6-diamine;tetrakis(bis(trifluoromethylsulfonyl)azanide);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
CID 157617686
9-[[4-[3-[4-[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]imidazol-1-ium-1-yl]phenyl]methyl]-3-N,6-N,6-N-tris(4-methoxyphenyl)-3-N-(4-methylphenyl)carbazole-3,6-diamine;bis(trifluoromethylsulfonyl)azanide;methylsulfonyl(trifluoromethylsulfonyl)azanide;3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9-[[4-(3-methylimidazol-3-ium-1-yl)phenyl]methyl]carbazole-3,6-diamine
CID 159144606
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
1,3-bis(ethenyl)-4,5-dimethyl-2-[[4-[2',3,6-tris[bis(4-methoxyphenyl)methyl]-7'-[(4-methoxyphenyl)-(4-methylphenyl)methyl]spiro[9H-anthracene-10,9'-fluorene]-9-yl]phenyl]methyl]imidazol-1-ium;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;bis(bis(trifluoromethylsulfonyl)azanide);methylsulfonyl(trifluoromethylsulfonyl)azanide
CID 159520349
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
3-N,6-N-bis[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-9-[(4-ethenylphenyl)methyl]-3-N,6-N-bis[4-(methoxymethyl)phenyl]carbazole-3,6-diamine;3-N,6-N-bis(4-ethenylphenyl)-9-[4-[(3-ethylimidazol-3-ium-1-yl)methyl]phenyl]-3-N,6-N-bis(4-methoxyphenyl)carbazole-3,6-diamine;methane;tris(1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide)
CID 160100169
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;[4-[[2-[bis(4-methoxyphenyl)methyl]-7'-[[4-[(3-ethylimidazol-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;bis(methylsulfonyl)azanide;methane;tris(methylsulfonyl(trifluoromethylsulfonyl)azanide)
CID 160707335
9-[2-[3-[[4-[[3-[2-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]ethyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium-1-yl]ethyl]-3-N,6-N,6-N-tris(4-methoxyphenyl)-3-N-(4-methylphenyl)carbazole-3,6-diamine;bis(bis(trifluoromethylsulfonyl)azanide);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
CID 161033043
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;bis(N-methylsulfonylmethanesulfonamide);bis(1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide)
CID 161457090
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
CID 155159065

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[2,7-bis[bis(4-methoxyphenyl)methyl]-7'-[[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-(4-methoxyphenyl)methyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-(4-methylphenyl)methyl]phenyl]methoxymethyl]-3-ethenylimidazol-3-ium;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;tetrakis(bis(trifluoromethylsulfonyl)azanide)?
The IUPAC name of 1-[[4-[[2,7-bis[bis(4-methoxyphenyl)methyl]-7'-[[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-(4-methoxyphenyl)methyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-(4-methylphenyl)methyl]phenyl]methoxymethyl]-3-ethenylimidazol-3-ium;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;tetrakis(bis(trifluoromethylsulfonyl)azanide) (CID 160787397) is 1-[[4-[[2,7-bis[bis(4-methoxyphenyl)methyl]-7'-[[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-(4-methoxyphenyl)methyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-(4-methylphenyl)methyl]phenyl]methoxymethyl]-3-ethenylimidazol-3-ium;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;tetrakis(bis(trifluoromethylsulfonyl)azanide).
What is the SMILES notation for 1-[[4-[[2,7-bis[bis(4-methoxyphenyl)methyl]-7'-[[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-(4-methoxyphenyl)methyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-(4-methylphenyl)methyl]phenyl]methoxymethyl]-3-ethenylimidazol-3-ium;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;tetrakis(bis(trifluoromethylsulfonyl)azanide)?
The canonical SMILES for 1-[[4-[[2,7-bis[bis(4-methoxyphenyl)methyl]-7'-[[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-(4-methoxyphenyl)methyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-(4-methylphenyl)methyl]phenyl]methoxymethyl]-3-ethenylimidazol-3-ium;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;tetrakis(bis(trifluoromethylsulfonyl)azanide) is C=C[n+]1ccn(COCc2ccc(C(c3ccc(C)cc3)c3ccc4c(c3)C3(c5cc(C(c6ccc(COCn7cc[n+](C=C)c7)cc6)c6ccc(OC)cc6)ccc5O4)c4cc(C(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc4-c4ccc(C(c5ccc(OC)cc5)c5ccc(OC)cc5)cc43)cc2)c1.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.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-[[4-[[2,7-bis[bis(4-methoxyphenyl)methyl]-7'-[[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-(4-methoxyphenyl)methyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-(4-methylphenyl)methyl]phenyl]methoxymethyl]-3-ethenylimidazol-3-ium;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;tetrakis(bis(trifluoromethylsulfonyl)azanide)?
The InChIKey is SBJSDFREBRGNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H86N4O8.C95H71N7O4.4C2F6NO4S2/c1-9-98-51-53-100(61-98)63-107-59-66-13-19-69(20-14-66)93(68-17-11-65(3)12-18-68)78-35-49-91-89(57-78)97(90-58-79(36-50-92(90)109-91)94(71-23-37-80(102-4)38-24-71)70-21-15-67(16-22-70)60-108-64-101-54-52-99(10-2)62-101)87-55-76(95(72-25-39-81(103-5)40-26-72)73-27-41-82(104-6)42-28-73)33-47-85(87)86-48-34-77(56-88(86)97)96(74-29-43-83(105-7)44-30-74)75-31-45-84(106-8)46-32-75;1-5-96-47-49-98(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;4*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h9-58,61-62,93-96H,1-2,59-60,63-64H2,3-8H3;5-57,61-62H,1-2,58-60H2,3-4H3;;;;/q2*+2;4*-1.
What are the key properties of 1-[[4-[[2,7-bis[bis(4-methoxyphenyl)methyl]-7'-[[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-(4-methoxyphenyl)methyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-(4-methylphenyl)methyl]phenyl]methoxymethyl]-3-ethenylimidazol-3-ium;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;tetrakis(bis(trifluoromethylsulfonyl)azanide)?
1-[[4-[[2,7-bis[bis(4-methoxyphenyl)methyl]-7'-[[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-(4-methoxyphenyl)methyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-(4-methylphenyl)methyl]phenyl]methoxymethyl]-3-ethenylimidazol-3-ium;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;tetrakis(bis(trifluoromethylsulfonyl)azanide) has a molecular weight of 3931.02 g/mol, XLogP of 45.41, 51 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[2,7-bis[bis(4-methoxyphenyl)methyl]-7'-[[4-[(3-ethenylimidazol-3-ium-1-yl)methoxymethyl]phenyl]-(4-methoxyphenyl)methyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-(4-methylphenyl)methyl]phenyl]methoxymethyl]-3-ethenylimidazol-3-ium;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;tetrakis(bis(trifluoromethylsulfonyl)azanide) is sourced from PubChem (CID 160787397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).