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)

C201H178F9N15O28S8 — CID 160707335

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;[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)

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) (PubChem CID 160707335) has the molecular formula C201H178F9N15O28S8 and a molecular weight of 3679.23 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;[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).

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;[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)
• PubChem CID: 160707335
• Molecular Formula: C201H178F9N15O28S8
• Molecular Weight: 3679.23 g/mol
• Exact Mass: 3676.06
• 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;[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)
• SMILES: C.C=C[n+]1ccn(COCc2ccc(C(c3ccc(CO)cc3)c3ccc4c(c3)C3(c5cc(C(c6ccc(C)cc6)c6ccc(COCn7cc[n+](CC)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(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.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.CS(=O)(=O)[N-]S(C)(=O)=O
• InChI: InChI=1S/C97H88N4O8.C95H71N7O4.3C2H3F3NO4S2.C2H6NO4S2.CH4/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;1-5-96-47-49-98(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;3*1-11(7,8)6-12(9,10)2(3,4)5;1-8(4,5)3-9(2,6)7;/h8-56,61-62,93-96,102-103H,2,7,57-60,63-64H2,1,3-6H3;5-57,61-62H,1-2,58-60H2,3-4H3;3*1H3;1-2H3;1H4/q2*+2;4*-1
• InChIKey: PSKLDFTXENHXGS-UHFFFAOYSA-N
• XLogP: 40.48
• TPSA: 508.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 35
• Rotatable Bonds: 51
• Heavy Atoms: 261
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3679.23
LogP ≤ 5	40.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	35

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-[[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)?

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;[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) 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;[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).

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;[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)?

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;[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) is C.C=C[n+]1ccn(COCc2ccc(C(c3ccc(CO)cc3)c3ccc4c(c3)C3(c5cc(C(c6ccc(C)cc6)c6ccc(COCn7cc[n+](CC)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(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.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.CS(=O)(=O)[N-]S(C)(=O)=O.

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;[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)?

The InChIKey is PSKLDFTXENHXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H88N4O8.C95H71N7O4.3C2H3F3NO4S2.C2H6NO4S2.CH4/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;1-5-96-47-49-98(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;3*1-11(7,8)6-12(9,10)2(3,4)5;1-8(4,5)3-9(2,6)7;/h8-56,61-62,93-96,102-103H,2,7,57-60,63-64H2,1,3-6H3;5-57,61-62H,1-2,58-60H2,3-4H3;3*1H3;1-2H3;1H4/q2*+2;4*-1;.

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;[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)?

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) has a molecular weight of 3679.23 g/mol, XLogP of 40.48, 51 rotatable bonds, 2 hydrogen bond donors, and 35 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;[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) is sourced from PubChem (CID 160707335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).