[4-[[10-[4-[[1,3-bis(ethenyl)-4,5-dimethylimidazol-1-ium-2-yl]methyl]phenyl]-2'-[bis(4-methoxyphenyl)methyl]-7'-[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]-7-[(4-methoxyphenyl)-(4-methylphenyl)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-(4-methoxyphenyl)methyl]phenyl]methanol;[4-[N-[9,9-bis[4-[(3-ethenylimidazol-3-ium-1-yl)methoxy]phenyl]-7-(4-methoxy-N-(4-methoxyphenyl)anilino)fluoren-2-yl]-4-(hydroxymethyl)anilino]phenyl]methanol;bis(methylsulfonyl)azanide;bis(methylsulfonyl(trifluoromethylsulfonyl)azanide)

C173H161F6N11O25S6 — CID 157221311

About [4-[[10-[4-[[1,3-bis(ethenyl)-4,5-dimethylimidazol-1-ium-2-yl]methyl]phenyl]-2'-[bis(4-methoxyphenyl)methyl]-7'-[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]-7-[(4-methoxyphenyl)-(4-methylphenyl)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-(4-methoxyphenyl)methyl]phenyl]methanol;[4-[N-[9,9-bis[4-[(3-ethenylimidazol-3-ium-1-yl)methoxy]phenyl]-7-(4-methoxy-N-(4-methoxyphenyl)anilino)fluoren-2-yl]-4-(hydroxymethyl)anilino]phenyl]methanol;bis(methylsulfonyl)azanide;bis(methylsulfonyl(trifluoromethylsulfonyl)azanide)

[4-[[10-[4-[[1,3-bis(ethenyl)-4,5-dimethylimidazol-1-ium-2-yl]methyl]phenyl]-2'-[bis(4-methoxyphenyl)methyl]-7'-[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]-7-[(4-methoxyphenyl)-(4-methylphenyl)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-(4-methoxyphenyl)methyl]phenyl]methanol;[4-[N-[9,9-bis[4-[(3-ethenylimidazol-3-ium-1-yl)methoxy]phenyl]-7-(4-methoxy-N-(4-methoxyphenyl)anilino)fluoren-2-yl]-4-(hydroxymethyl)anilino]phenyl]methanol;bis(methylsulfonyl)azanide;bis(methylsulfonyl(trifluoromethylsulfonyl)azanide) (PubChem CID 157221311) has the molecular formula C173H161F6N11O25S6 and a molecular weight of 3100.63 g/mol. Its IUPAC name is [4-[[10-[4-[[1,3-bis(ethenyl)-4,5-dimethylimidazol-1-ium-2-yl]methyl]phenyl]-2'-[bis(4-methoxyphenyl)methyl]-7'-[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]-7-[(4-methoxyphenyl)-(4-methylphenyl)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-(4-methoxyphenyl)methyl]phenyl]methanol;[4-[N-[9,9-bis[4-[(3-ethenylimidazol-3-ium-1-yl)methoxy]phenyl]-7-(4-methoxy-N-(4-methoxyphenyl)anilino)fluoren-2-yl]-4-(hydroxymethyl)anilino]phenyl]methanol;bis(methylsulfonyl)azanide;bis(methylsulfonyl(trifluoromethylsulfonyl)azanide).

Molecular Properties

• Compound Name: [4-[[10-[4-[[1,3-bis(ethenyl)-4,5-dimethylimidazol-1-ium-2-yl]methyl]phenyl]-2'-[bis(4-methoxyphenyl)methyl]-7'-[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]-7-[(4-methoxyphenyl)-(4-methylphenyl)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-(4-methoxyphenyl)methyl]phenyl]methanol;[4-[N-[9,9-bis[4-[(3-ethenylimidazol-3-ium-1-yl)methoxy]phenyl]-7-(4-methoxy-N-(4-methoxyphenyl)anilino)fluoren-2-yl]-4-(hydroxymethyl)anilino]phenyl]methanol;bis(methylsulfonyl)azanide;bis(methylsulfonyl(trifluoromethylsulfonyl)azanide)
• PubChem CID: 157221311
• Molecular Formula: C173H161F6N11O25S6
• Molecular Weight: 3100.63 g/mol
• Exact Mass: 3097.99
• IUPAC Name: [4-[[10-[4-[[1,3-bis(ethenyl)-4,5-dimethylimidazol-1-ium-2-yl]methyl]phenyl]-2'-[bis(4-methoxyphenyl)methyl]-7'-[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]-7-[(4-methoxyphenyl)-(4-methylphenyl)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-(4-methoxyphenyl)methyl]phenyl]methanol;[4-[N-[9,9-bis[4-[(3-ethenylimidazol-3-ium-1-yl)methoxy]phenyl]-7-(4-methoxy-N-(4-methoxyphenyl)anilino)fluoren-2-yl]-4-(hydroxymethyl)anilino]phenyl]methanol;bis(methylsulfonyl)azanide;bis(methylsulfonyl(trifluoromethylsulfonyl)azanide)
• SMILES: C=C[n+]1ccn(COc2ccc(C3(c4ccc(OCn5cc[n+](C=C)c5)cc4)c4cc(N(c5ccc(CO)cc5)c5ccc(CO)cc5)ccc4-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc43)cc2)c1.C=Cn1c(C)c(C)[n+](C=C)c1Cc1ccc(C2c3ccc(C(c4ccc(C)cc4)c4ccc(OC)cc4)cc3C3(c4cc(C(c5ccc(CO)cc5)c5ccc(OC)cc5)ccc4-c4ccc(C(c5ccc(OC)cc5)c5ccc(OC)cc5)cc43)c3cc(C(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(C)(=O)=O
• InChI: InChI=1S/C102H91N2O7.C65H58N6O6.2C2H3F3NO4S2.C2H6NO4S2/c1-11-103-65(4)66(5)104(12-2)96(103)57-67-15-23-78(24-16-67)101-90-55-41-81(97(70-21-13-64(3)14-22-70)73-29-43-83(107-6)44-30-73)60-94(90)102(95-61-82(42-56-91(95)101)99(72-27-19-69(63-106)20-28-72)75-33-47-85(109-8)48-34-75)92-58-79(98(71-25-17-68(62-105)18-26-71)74-31-45-84(108-7)46-32-74)39-53-88(92)89-54-40-80(59-93(89)102)100(76-35-49-86(110-9)50-36-76)77-37-51-87(111-10)52-38-77;1-5-66-35-37-68(43-66)45-76-59-25-11-49(12-26-59)65(50-13-27-60(28-14-50)77-46-69-38-36-67(6-2)44-69)63-39-55(70(51-15-7-47(41-72)8-16-51)52-17-9-48(42-73)10-18-52)23-33-61(63)62-34-24-56(40-64(62)65)71(53-19-29-57(74-3)30-20-53)54-21-31-58(75-4)32-22-54;2*1-11(7,8)6-12(9,10)2(3,4)5;1-8(4,5)3-9(2,6)7/h11-56,58-61,97-101,105-106H,1-2,57,62-63H2,3-10H3;5-40,43-44,72-73H,1-2,41-42,45-46H2,3-4H3;2*1H3;1-2H3/q+1;+2;3*-1
• InChIKey: YNAVETUKSXOGKN-UHFFFAOYSA-N
• XLogP: 33.16
• TPSA: 444.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 50
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3100.63
LogP ≤ 5	33.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

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 [4-[[10-[4-[[1,3-bis(ethenyl)-4,5-dimethylimidazol-1-ium-2-yl]methyl]phenyl]-2'-[bis(4-methoxyphenyl)methyl]-7'-[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]-7-[(4-methoxyphenyl)-(4-methylphenyl)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-(4-methoxyphenyl)methyl]phenyl]methanol;[4-[N-[9,9-bis[4-[(3-ethenylimidazol-3-ium-1-yl)methoxy]phenyl]-7-(4-methoxy-N-(4-methoxyphenyl)anilino)fluoren-2-yl]-4-(hydroxymethyl)anilino]phenyl]methanol;bis(methylsulfonyl)azanide;bis(methylsulfonyl(trifluoromethylsulfonyl)azanide)?

The IUPAC name of [4-[[10-[4-[[1,3-bis(ethenyl)-4,5-dimethylimidazol-1-ium-2-yl]methyl]phenyl]-2'-[bis(4-methoxyphenyl)methyl]-7'-[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]-7-[(4-methoxyphenyl)-(4-methylphenyl)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-(4-methoxyphenyl)methyl]phenyl]methanol;[4-[N-[9,9-bis[4-[(3-ethenylimidazol-3-ium-1-yl)methoxy]phenyl]-7-(4-methoxy-N-(4-methoxyphenyl)anilino)fluoren-2-yl]-4-(hydroxymethyl)anilino]phenyl]methanol;bis(methylsulfonyl)azanide;bis(methylsulfonyl(trifluoromethylsulfonyl)azanide) (CID 157221311) is [4-[[10-[4-[[1,3-bis(ethenyl)-4,5-dimethylimidazol-1-ium-2-yl]methyl]phenyl]-2'-[bis(4-methoxyphenyl)methyl]-7'-[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]-7-[(4-methoxyphenyl)-(4-methylphenyl)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-(4-methoxyphenyl)methyl]phenyl]methanol;[4-[N-[9,9-bis[4-[(3-ethenylimidazol-3-ium-1-yl)methoxy]phenyl]-7-(4-methoxy-N-(4-methoxyphenyl)anilino)fluoren-2-yl]-4-(hydroxymethyl)anilino]phenyl]methanol;bis(methylsulfonyl)azanide;bis(methylsulfonyl(trifluoromethylsulfonyl)azanide).

What is the SMILES notation for [4-[[10-[4-[[1,3-bis(ethenyl)-4,5-dimethylimidazol-1-ium-2-yl]methyl]phenyl]-2'-[bis(4-methoxyphenyl)methyl]-7'-[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]-7-[(4-methoxyphenyl)-(4-methylphenyl)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-(4-methoxyphenyl)methyl]phenyl]methanol;[4-[N-[9,9-bis[4-[(3-ethenylimidazol-3-ium-1-yl)methoxy]phenyl]-7-(4-methoxy-N-(4-methoxyphenyl)anilino)fluoren-2-yl]-4-(hydroxymethyl)anilino]phenyl]methanol;bis(methylsulfonyl)azanide;bis(methylsulfonyl(trifluoromethylsulfonyl)azanide)?

The canonical SMILES for [4-[[10-[4-[[1,3-bis(ethenyl)-4,5-dimethylimidazol-1-ium-2-yl]methyl]phenyl]-2'-[bis(4-methoxyphenyl)methyl]-7'-[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]-7-[(4-methoxyphenyl)-(4-methylphenyl)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-(4-methoxyphenyl)methyl]phenyl]methanol;[4-[N-[9,9-bis[4-[(3-ethenylimidazol-3-ium-1-yl)methoxy]phenyl]-7-(4-methoxy-N-(4-methoxyphenyl)anilino)fluoren-2-yl]-4-(hydroxymethyl)anilino]phenyl]methanol;bis(methylsulfonyl)azanide;bis(methylsulfonyl(trifluoromethylsulfonyl)azanide) is C=C[n+]1ccn(COc2ccc(C3(c4ccc(OCn5cc[n+](C=C)c5)cc4)c4cc(N(c5ccc(CO)cc5)c5ccc(CO)cc5)ccc4-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc43)cc2)c1.C=Cn1c(C)c(C)[n+](C=C)c1Cc1ccc(C2c3ccc(C(c4ccc(C)cc4)c4ccc(OC)cc4)cc3C3(c4cc(C(c5ccc(CO)cc5)c5ccc(OC)cc5)ccc4-c4ccc(C(c5ccc(OC)cc5)c5ccc(OC)cc5)cc43)c3cc(C(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(C)(=O)=O.

What is the InChIKey of [4-[[10-[4-[[1,3-bis(ethenyl)-4,5-dimethylimidazol-1-ium-2-yl]methyl]phenyl]-2'-[bis(4-methoxyphenyl)methyl]-7'-[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]-7-[(4-methoxyphenyl)-(4-methylphenyl)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-(4-methoxyphenyl)methyl]phenyl]methanol;[4-[N-[9,9-bis[4-[(3-ethenylimidazol-3-ium-1-yl)methoxy]phenyl]-7-(4-methoxy-N-(4-methoxyphenyl)anilino)fluoren-2-yl]-4-(hydroxymethyl)anilino]phenyl]methanol;bis(methylsulfonyl)azanide;bis(methylsulfonyl(trifluoromethylsulfonyl)azanide)?

The InChIKey is YNAVETUKSXOGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H91N2O7.C65H58N6O6.2C2H3F3NO4S2.C2H6NO4S2/c1-11-103-65(4)66(5)104(12-2)96(103)57-67-15-23-78(24-16-67)101-90-55-41-81(97(70-21-13-64(3)14-22-70)73-29-43-83(107-6)44-30-73)60-94(90)102(95-61-82(42-56-91(95)101)99(72-27-19-69(63-106)20-28-72)75-33-47-85(109-8)48-34-75)92-58-79(98(71-25-17-68(62-105)18-26-71)74-31-45-84(108-7)46-32-74)39-53-88(92)89-54-40-80(59-93(89)102)100(76-35-49-86(110-9)50-36-76)77-37-51-87(111-10)52-38-77;1-5-66-35-37-68(43-66)45-76-59-25-11-49(12-26-59)65(50-13-27-60(28-14-50)77-46-69-38-36-67(6-2)44-69)63-39-55(70(51-15-7-47(41-72)8-16-51)52-17-9-48(42-73)10-18-52)23-33-61(63)62-34-24-56(40-64(62)65)71(53-19-29-57(74-3)30-20-53)54-21-31-58(75-4)32-22-54;2*1-11(7,8)6-12(9,10)2(3,4)5;1-8(4,5)3-9(2,6)7/h11-56,58-61,97-101,105-106H,1-2,57,62-63H2,3-10H3;5-40,43-44,72-73H,1-2,41-42,45-46H2,3-4H3;2*1H3;1-2H3/q+1;+2;3*-1.

What are the key properties of [4-[[10-[4-[[1,3-bis(ethenyl)-4,5-dimethylimidazol-1-ium-2-yl]methyl]phenyl]-2'-[bis(4-methoxyphenyl)methyl]-7'-[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]-7-[(4-methoxyphenyl)-(4-methylphenyl)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-(4-methoxyphenyl)methyl]phenyl]methanol;[4-[N-[9,9-bis[4-[(3-ethenylimidazol-3-ium-1-yl)methoxy]phenyl]-7-(4-methoxy-N-(4-methoxyphenyl)anilino)fluoren-2-yl]-4-(hydroxymethyl)anilino]phenyl]methanol;bis(methylsulfonyl)azanide;bis(methylsulfonyl(trifluoromethylsulfonyl)azanide)?

[4-[[10-[4-[[1,3-bis(ethenyl)-4,5-dimethylimidazol-1-ium-2-yl]methyl]phenyl]-2'-[bis(4-methoxyphenyl)methyl]-7'-[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]-7-[(4-methoxyphenyl)-(4-methylphenyl)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-(4-methoxyphenyl)methyl]phenyl]methanol;[4-[N-[9,9-bis[4-[(3-ethenylimidazol-3-ium-1-yl)methoxy]phenyl]-7-(4-methoxy-N-(4-methoxyphenyl)anilino)fluoren-2-yl]-4-(hydroxymethyl)anilino]phenyl]methanol;bis(methylsulfonyl)azanide;bis(methylsulfonyl(trifluoromethylsulfonyl)azanide) has a molecular weight of 3100.63 g/mol, XLogP of 33.16, 50 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[10-[4-[[1,3-bis(ethenyl)-4,5-dimethylimidazol-1-ium-2-yl]methyl]phenyl]-2'-[bis(4-methoxyphenyl)methyl]-7'-[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]-7-[(4-methoxyphenyl)-(4-methylphenyl)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-(4-methoxyphenyl)methyl]phenyl]methanol;[4-[N-[9,9-bis[4-[(3-ethenylimidazol-3-ium-1-yl)methoxy]phenyl]-7-(4-methoxy-N-(4-methoxyphenyl)anilino)fluoren-2-yl]-4-(hydroxymethyl)anilino]phenyl]methanol;bis(methylsulfonyl)azanide;bis(methylsulfonyl(trifluoromethylsulfonyl)azanide) is sourced from PubChem (CID 157221311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).