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

C126H115F18N15O20S6 — CID 157415901

About 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

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 (PubChem CID 157415901) has the molecular formula C126H115F18N15O20S6 and a molecular weight of 2693.76 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157415901
• Molecular Formula: C126H115F18N15O20S6
• Molecular Weight: 2693.76 g/mol
• Exact Mass: 2691.65
• IUPAC Name: 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
• SMILES: C=Cc1ccc(Cn2c3ccc(Nc4ccc(COCn5cc[n+](C=C)c5)cc4-c4ccc(COC)cc4)cc3c3cc(N(c4ccc(COC)cc4)c4ccc(COCn5cc[n+](C=C)c5)cc4)ccc32)cc1.C=Cn1c(C)c(C)[n+](C=C)c1Cc1ccc(Cn2c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3c3cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc32)cc1.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
• InChI: InChI=1S/C63H61N7O4.C57H54N5O4.3C2F6NO4S2/c1-6-47-9-11-48(12-10-47)38-69-62-29-22-54(64-61-28-19-52(42-74-46-68-34-32-66(8-3)44-68)35-58(61)53-20-13-49(14-21-53)39-71-4)36-59(62)60-37-57(27-30-63(60)69)70(55-23-15-50(16-24-55)40-72-5)56-25-17-51(18-26-56)41-73-45-67-33-31-65(7-2)43-67;1-9-58-39(3)40(4)59(10-2)57(58)35-41-11-13-42(14-12-41)38-60-55-33-23-47(61(43-15-25-49(63-5)26-16-43)44-17-27-50(64-6)28-18-44)36-53(55)54-37-48(24-34-56(54)60)62(45-19-29-51(65-7)30-20-45)46-21-31-52(66-8)32-22-46;3*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h6-37,43-44,64H,1-3,38-42,45-46H2,4-5H3;9-34,36-37H,1-2,35,38H2,3-8H3;;;/q+2;+1;3*-1
• InChIKey: ZNHGJATUWIUSGJ-UHFFFAOYSA-N
• XLogP: 29.88
• TPSA: 379.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Rotatable Bonds: 45
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2693.76
LogP ≤ 5	29.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C=Cc1ccc(Cn2c3ccc(Nc4ccc(COCn5cc[n+](C=C)c5)cc4-c4ccc(COC)cc4)cc3c3cc(N(c4ccc(COC)cc4)c4ccc(COCn5cc[n+](C=C)c5)cc4)ccc32)cc1.C=Cn1c(C)c(C)[n+](C=C)c1Cc1ccc(Cn2c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3c3cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc32)cc1.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 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?

The InChIKey is ZNHGJATUWIUSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H61N7O4.C57H54N5O4.3C2F6NO4S2/c1-6-47-9-11-48(12-10-47)38-69-62-29-22-54(64-61-28-19-52(42-74-46-68-34-32-66(8-3)44-68)35-58(61)53-20-13-49(14-21-53)39-71-4)36-59(62)60-37-57(27-30-63(60)69)70(55-23-15-50(16-24-55)40-72-5)56-25-17-51(18-26-56)41-73-45-67-33-31-65(7-2)43-67;1-9-58-39(3)40(4)59(10-2)57(58)35-41-11-13-42(14-12-41)38-60-55-33-23-47(61(43-15-25-49(63-5)26-16-43)44-17-27-50(64-6)28-18-44)36-53(55)54-37-48(24-34-56(54)60)62(45-19-29-51(65-7)30-20-45)46-21-31-52(66-8)32-22-46;3*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h6-37,43-44,64H,1-3,38-42,45-46H2,4-5H3;9-34,36-37H,1-2,35,38H2,3-8H3;;;/q+2;+1;3*-1.

What are the key properties of 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?

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 has a molecular weight of 2693.76 g/mol, XLogP of 29.88, 45 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 157415901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).