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

C160H145F12N19O19S4+2 — CID 161033043

About 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

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 (PubChem CID 161033043) has the molecular formula C160H145F12N19O19S4+2 and a molecular weight of 2994.28 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 161033043
• Molecular Formula: C160H145F12N19O19S4+2
• Molecular Weight: 2994.28 g/mol
• Exact Mass: 2991.96
• IUPAC Name: 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
• SMILES: C=C[n+]1ccn(Cc2ccc(Cn3cc[n+](CCn4c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5c5cc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)ccc54)c3)cc2)c1.COc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3CC[n+]2ccn(Cc3ccc(Cn4cc[n+](CCn5c6ccc(N(c7ccc(OC)cc7)c7ccc(OC)cc7)cc6c6cc(N(c7ccc(OC)cc7)c7ccc(OC)cc7)ccc65)c4)cc3)c2)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
• InChI: InChI=1S/C98H90N10O7.C58H55N7O4.2C2F6NO4S2/c1-69-9-15-72(16-10-69)105(73-17-35-84(109-2)36-18-73)80-31-49-95-91(61-80)92-62-81(106(74-19-37-85(110-3)38-20-74)75-21-39-86(111-4)40-22-75)32-50-96(92)103(95)59-57-99-53-55-101(67-99)65-70-11-13-71(14-12-70)66-102-56-54-100(68-102)58-60-104-97-51-33-82(107(76-23-41-87(112-5)42-24-76)77-25-43-88(113-6)44-26-77)63-93(97)94-64-83(34-52-98(94)104)108(78-27-45-89(114-7)46-28-78)79-29-47-90(115-8)48-30-79;1-6-59-31-33-61(41-59)39-43-7-9-44(10-8-43)40-62-34-32-60(42-62)35-36-63-57-29-19-49(64(45-11-21-51(66-2)22-12-45)46-13-23-52(67-3)24-14-46)37-55(57)56-38-50(20-30-58(56)63)65(47-15-25-53(68-4)26-16-47)48-17-27-54(69-5)28-18-48;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h9-56,61-64,67-68H,57-60,65-66H2,1-8H3;6-34,37-38,41-42H,1,35-36,39-40H2,2-5H3;;/q2*+2;2*-1
• InChIKey: ZPUJTSKTYAWCJS-UHFFFAOYSA-N
• XLogP: 35.79
• TPSA: 335.76 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 51
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2994.28
LogP ≤ 5	35.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C=C[n+]1ccn(Cc2ccc(Cn3cc[n+](CCn4c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5c5cc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)ccc54)c3)cc2)c1.COc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3CC[n+]2ccn(Cc3ccc(Cn4cc[n+](CCn5c6ccc(N(c7ccc(OC)cc7)c7ccc(OC)cc7)cc6c6cc(N(c7ccc(OC)cc7)c7ccc(OC)cc7)ccc65)c4)cc3)c2)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.

What is the InChIKey of 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?

The InChIKey is ZPUJTSKTYAWCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H90N10O7.C58H55N7O4.2C2F6NO4S2/c1-69-9-15-72(16-10-69)105(73-17-35-84(109-2)36-18-73)80-31-49-95-91(61-80)92-62-81(106(74-19-37-85(110-3)38-20-74)75-21-39-86(111-4)40-22-75)32-50-96(92)103(95)59-57-99-53-55-101(67-99)65-70-11-13-71(14-12-70)66-102-56-54-100(68-102)58-60-104-97-51-33-82(107(76-23-41-87(112-5)42-24-76)77-25-43-88(113-6)44-26-77)63-93(97)94-64-83(34-52-98(94)104)108(78-27-45-89(114-7)46-28-78)79-29-47-90(115-8)48-30-79;1-6-59-31-33-61(41-59)39-43-7-9-44(10-8-43)40-62-34-32-60(42-62)35-36-63-57-29-19-49(64(45-11-21-51(66-2)22-12-45)46-13-23-52(67-3)24-14-46)37-55(57)56-38-50(20-30-58(56)63)65(47-15-25-53(68-4)26-16-47)48-17-27-54(69-5)28-18-48;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h9-56,61-64,67-68H,57-60,65-66H2,1-8H3;6-34,37-38,41-42H,1,35-36,39-40H2,2-5H3;;/q2*+2;2*-1.

What are the key properties of 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?

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 has a molecular weight of 2994.28 g/mol, XLogP of 35.79, 51 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 161033043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).