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

C152H132F9N15O19S4 — CID 159144606

About 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

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 (PubChem CID 159144606) has the molecular formula C152H132F9N15O19S4 and a molecular weight of 2772.06 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159144606
• Molecular Formula: C152H132F9N15O19S4
• Molecular Weight: 2772.06 g/mol
• Exact Mass: 2769.86
• IUPAC Name: 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
• SMILES: COc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3Cc2ccc(-[n+]3ccn(-c4ccc(Cn5c6ccc(N(c7ccc(OC)cc7)c7ccc(OC)cc7)cc6c6cc(N(c7ccc(OC)cc7)c7ccc(OC)cc7)ccc65)cc4)c3)cc2)cc1.COc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3Cc2ccc(-n3cc[n+](C)c3)cc2)cc1.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C97H83N8O7.C51H46N5O4.C2F6NO4S2.C2H3F3NO4S2/c1-66-9-15-71(16-10-66)102(72-21-39-83(106-2)40-22-72)79-35-53-94-90(59-79)91-60-80(103(73-23-41-84(107-3)42-24-73)74-25-43-85(108-4)44-26-74)36-54-95(91)100(94)63-67-11-17-69(18-12-67)98-57-58-99(65-98)70-19-13-68(14-20-70)64-101-96-55-37-81(104(75-27-45-86(109-5)46-28-75)76-29-47-87(110-6)48-30-76)61-92(96)93-62-82(38-56-97(93)101)105(77-31-49-88(111-7)50-32-77)78-33-51-89(112-8)52-34-78;1-52-30-31-53(35-52)37-8-6-36(7-9-37)34-54-50-28-18-42(55(38-10-20-44(57-2)21-11-38)39-12-22-45(58-3)23-13-39)32-48(50)49-33-43(19-29-51(49)54)56(40-14-24-46(59-4)25-15-40)41-16-26-47(60-5)27-17-41;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;1-11(7,8)6-12(9,10)2(3,4)5/h9-62,65H,63-64H2,1-8H3;6-33,35H,34H2,1-5H3;;1H3/q2*+1;2*-1
• InChIKey: KINFXNBZSAAESW-UHFFFAOYSA-N
• XLogP: 35.97
• TPSA: 318.14 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 42
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2772.06
LogP ≤ 5	35.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is COc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3Cc2ccc(-[n+]3ccn(-c4ccc(Cn5c6ccc(N(c7ccc(OC)cc7)c7ccc(OC)cc7)cc6c6cc(N(c7ccc(OC)cc7)c7ccc(OC)cc7)ccc65)cc4)c3)cc2)cc1.COc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3Cc2ccc(-n3cc[n+](C)c3)cc2)cc1.CS(=O)(=O)[N-]S(=O)(=O)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-[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?

The InChIKey is KINFXNBZSAAESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H83N8O7.C51H46N5O4.C2F6NO4S2.C2H3F3NO4S2/c1-66-9-15-71(16-10-66)102(72-21-39-83(106-2)40-22-72)79-35-53-94-90(59-79)91-60-80(103(73-23-41-84(107-3)42-24-73)74-25-43-85(108-4)44-26-74)36-54-95(91)100(94)63-67-11-17-69(18-12-67)98-57-58-99(65-98)70-19-13-68(14-20-70)64-101-96-55-37-81(104(75-27-45-86(109-5)46-28-75)76-29-47-87(110-6)48-30-76)61-92(96)93-62-82(38-56-97(93)101)105(77-31-49-88(111-7)50-32-77)78-33-51-89(112-8)52-34-78;1-52-30-31-53(35-52)37-8-6-36(7-9-37)34-54-50-28-18-42(55(38-10-20-44(57-2)21-11-38)39-12-22-45(58-3)23-13-39)32-48(50)49-33-43(19-29-51(49)54)56(40-14-24-46(59-4)25-15-40)41-16-26-47(60-5)27-17-41;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;1-11(7,8)6-12(9,10)2(3,4)5/h9-62,65H,63-64H2,1-8H3;6-33,35H,34H2,1-5H3;;1H3/q2*+1;2*-1.

What are the key properties of 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?

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 has a molecular weight of 2772.06 g/mol, XLogP of 35.97, 42 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159144606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).