4-N-[4-[[1-[3-[3-[3-[4-[[4-(4-aminoanilino)phenyl]diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]phenyl]benzene-1,4-diamine;4-[[1-[3-[3-[3-[4-[[4-(4-methoxyanilino)phenyl]diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]-N-(4-methoxyphenyl)aniline

C88H92N22O2+6 — CID 159574804

About 4-N-[4-[[1-[3-[3-[3-[4-[[4-(4-aminoanilino)phenyl]diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]phenyl]benzene-1,4-diamine;4-[[1-[3-[3-[3-[4-[[4-(4-methoxyanilino)phenyl]diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]-N-(4-methoxyphenyl)aniline

4-N-[4-[[1-[3-[3-[3-[4-[[4-(4-aminoanilino)phenyl]diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]phenyl]benzene-1,4-diamine;4-[[1-[3-[3-[3-[4-[[4-(4-methoxyanilino)phenyl]diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]-N-(4-methoxyphenyl)aniline (PubChem CID 159574804) has the molecular formula C88H92N22O2+6 and a molecular weight of 1489.86 g/mol. Its IUPAC name is 4-N-[4-[[1-[3-[3-[3-[4-[[4-(4-aminoanilino)phenyl]diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]phenyl]benzene-1,4-diamine;4-[[1-[3-[3-[3-[4-[[4-(4-methoxyanilino)phenyl]diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]-N-(4-methoxyphenyl)aniline.

Molecular Properties

• Compound Name: 4-N-[4-[[1-[3-[3-[3-[4-[[4-(4-aminoanilino)phenyl]diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]phenyl]benzene-1,4-diamine;4-[[1-[3-[3-[3-[4-[[4-(4-methoxyanilino)phenyl]diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]-N-(4-methoxyphenyl)aniline
• PubChem CID: 159574804
• Molecular Formula: C88H92N22O2+6
• Molecular Weight: 1489.86 g/mol
• Exact Mass: 1488.77
• IUPAC Name: 4-N-[4-[[1-[3-[3-[3-[4-[[4-(4-aminoanilino)phenyl]diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]phenyl]benzene-1,4-diamine;4-[[1-[3-[3-[3-[4-[[4-(4-methoxyanilino)phenyl]diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]-N-(4-methoxyphenyl)aniline
• SMILES: COc1ccc(Nc2ccc(/N=N/c3cc[n+](CCCn4cc[n+](CCC[n+]5ccc(/N=N/c6ccc(Nc7ccc(OC)cc7)cc6)cc5)c4)cc3)cc2)cc1.Nc1ccc(Nc2ccc(/N=N/c3cc[n+](CCCn4cc[n+](CCC[n+]5ccc(/N=N/c6ccc(Nc7ccc(N)cc7)cc6)cc5)c4)cc3)cc2)cc1
• InChI: InChI=1S/C45H45N10O2.C43H43N12/c1-56-44-17-13-38(14-18-44)46-36-5-9-40(10-6-36)48-50-42-21-29-52(30-22-42)25-3-27-54-33-34-55(35-54)28-4-26-53-31-23-43(24-32-53)51-49-41-11-7-37(8-12-41)47-39-15-19-45(57-2)20-16-39;44-34-3-7-36(8-4-34)46-38-11-15-40(16-12-38)48-50-42-19-27-52(28-20-42)23-1-25-54-31-32-55(33-54)26-2-24-53-29-21-43(22-30-53)51-49-41-17-13-39(14-18-41)47-37-9-5-35(45)6-10-37/h5-24,29-35H,3-4,25-28H2,1-2H3;3-22,27-33H,1-2,23-26H2,(H4,44,45,48,49)/q2*+1/p+4
• InChIKey: MIGOAWPJOACXLN-UHFFFAOYSA-R
• XLogP: 18.88
• TPSA: 250.64 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 34
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1489.86
LogP ≤ 5	18.88
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[[1-[3-[3-[3-[4-[[4-(4-aminoanilino)phenyl]diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]phenyl]benzene-1,4-diamine;4-[[1-[3-[3-[3-[4-[[4-(4-methoxyanilino)phenyl]diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]-N-(4-methoxyphenyl)aniline?

The IUPAC name of 4-N-[4-[[1-[3-[3-[3-[4-[[4-(4-aminoanilino)phenyl]diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]phenyl]benzene-1,4-diamine;4-[[1-[3-[3-[3-[4-[[4-(4-methoxyanilino)phenyl]diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]-N-(4-methoxyphenyl)aniline (CID 159574804) is 4-N-[4-[[1-[3-[3-[3-[4-[[4-(4-aminoanilino)phenyl]diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]phenyl]benzene-1,4-diamine;4-[[1-[3-[3-[3-[4-[[4-(4-methoxyanilino)phenyl]diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]-N-(4-methoxyphenyl)aniline.

What is the SMILES notation for 4-N-[4-[[1-[3-[3-[3-[4-[[4-(4-aminoanilino)phenyl]diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]phenyl]benzene-1,4-diamine;4-[[1-[3-[3-[3-[4-[[4-(4-methoxyanilino)phenyl]diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]-N-(4-methoxyphenyl)aniline?

The canonical SMILES for 4-N-[4-[[1-[3-[3-[3-[4-[[4-(4-aminoanilino)phenyl]diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]phenyl]benzene-1,4-diamine;4-[[1-[3-[3-[3-[4-[[4-(4-methoxyanilino)phenyl]diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]-N-(4-methoxyphenyl)aniline is COc1ccc(Nc2ccc(/N=N/c3cc[n+](CCCn4cc[n+](CCC[n+]5ccc(/N=N/c6ccc(Nc7ccc(OC)cc7)cc6)cc5)c4)cc3)cc2)cc1.Nc1ccc(Nc2ccc(/N=N/c3cc[n+](CCCn4cc[n+](CCC[n+]5ccc(/N=N/c6ccc(Nc7ccc(N)cc7)cc6)cc5)c4)cc3)cc2)cc1.

What is the InChIKey of 4-N-[4-[[1-[3-[3-[3-[4-[[4-(4-aminoanilino)phenyl]diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]phenyl]benzene-1,4-diamine;4-[[1-[3-[3-[3-[4-[[4-(4-methoxyanilino)phenyl]diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]-N-(4-methoxyphenyl)aniline?

The InChIKey is MIGOAWPJOACXLN-UHFFFAOYSA-R. The full InChI is InChI=1S/C45H45N10O2.C43H43N12/c1-56-44-17-13-38(14-18-44)46-36-5-9-40(10-6-36)48-50-42-21-29-52(30-22-42)25-3-27-54-33-34-55(35-54)28-4-26-53-31-23-43(24-32-53)51-49-41-11-7-37(8-12-41)47-39-15-19-45(57-2)20-16-39;44-34-3-7-36(8-4-34)46-38-11-15-40(16-12-38)48-50-42-19-27-52(28-20-42)23-1-25-54-31-32-55(33-54)26-2-24-53-29-21-43(22-30-53)51-49-41-17-13-39(14-18-41)47-37-9-5-35(45)6-10-37/h5-24,29-35H,3-4,25-28H2,1-2H3;3-22,27-33H,1-2,23-26H2,(H4,44,45,48,49)/q2*+1/p+4.

What are the key properties of 4-N-[4-[[1-[3-[3-[3-[4-[[4-(4-aminoanilino)phenyl]diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]phenyl]benzene-1,4-diamine;4-[[1-[3-[3-[3-[4-[[4-(4-methoxyanilino)phenyl]diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]-N-(4-methoxyphenyl)aniline?

4-N-[4-[[1-[3-[3-[3-[4-[[4-(4-aminoanilino)phenyl]diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]phenyl]benzene-1,4-diamine;4-[[1-[3-[3-[3-[4-[[4-(4-methoxyanilino)phenyl]diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]-N-(4-methoxyphenyl)aniline has a molecular weight of 1489.86 g/mol, XLogP of 18.88, 34 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[4-[[1-[3-[3-[3-[4-[[4-(4-aminoanilino)phenyl]diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]phenyl]benzene-1,4-diamine;4-[[1-[3-[3-[3-[4-[[4-(4-methoxyanilino)phenyl]diazenyl]pyridin-1-ium-1-yl]propyl]imidazol-3-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]-N-(4-methoxyphenyl)aniline is sourced from PubChem (CID 159574804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).