dipotassium;4-[6-(2-butoxyethyl)-2-(2-methylpropyl)-8-[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-4-yl]-N,N-diphenylaniline;hydride;oxido formate;1-propoxybutane

C60H68K2N8O5 — CID 161319689

About dipotassium;4-[6-(2-butoxyethyl)-2-(2-methylpropyl)-8-[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-4-yl]-N,N-diphenylaniline;hydride;oxido formate;1-propoxybutane

dipotassium;4-[6-(2-butoxyethyl)-2-(2-methylpropyl)-8-[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-4-yl]-N,N-diphenylaniline;hydride;oxido formate;1-propoxybutane (PubChem CID 161319689) has the molecular formula C60H68K2N8O5 and a molecular weight of 1059.45 g/mol. Its IUPAC name is dipotassium;4-[6-(2-butoxyethyl)-2-(2-methylpropyl)-8-[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-4-yl]-N,N-diphenylaniline;hydride;oxido formate;1-propoxybutane.

Molecular Properties

• Compound Name: dipotassium;4-[6-(2-butoxyethyl)-2-(2-methylpropyl)-8-[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-4-yl]-N,N-diphenylaniline;hydride;oxido formate;1-propoxybutane
• PubChem CID: 161319689
• Molecular Formula: C60H68K2N8O5
• Molecular Weight: 1059.45 g/mol
• Exact Mass: 1058.46
• IUPAC Name: dipotassium;4-[6-(2-butoxyethyl)-2-(2-methylpropyl)-8-[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-4-yl]-N,N-diphenylaniline;hydride;oxido formate;1-propoxybutane
• SMILES: CCCCOCCC.CCCCOCCn1nc2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3n[n+](CC(C)C)[n-]c3c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2n1.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C52H50N8O.C7H16O.CH2O3.2K.H/c1-4-5-35-61-36-34-57-53-49-47(39-26-30-45(31-27-39)59(41-18-10-6-11-19-41)42-20-12-7-13-21-42)51-52(56-58(55-51)37-38(2)3)48(50(49)54-57)40-28-32-46(33-29-40)60(43-22-14-8-15-23-43)44-24-16-9-17-25-44;1-3-5-7-8-6-4-2;2-1-4-3;;;/h6-33,38H,4-5,34-37H2,1-3H3;3-7H2,1-2H3;1,3H;;;/q;;;2*+1;-1/p-1
• InChIKey: IBDNWBKLTXPRAK-UHFFFAOYSA-M
• XLogP: 6.74
• TPSA: 135.88 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 22
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1059.45
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;4-[6-(2-butoxyethyl)-2-(2-methylpropyl)-8-[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-4-yl]-N,N-diphenylaniline;hydride;oxido formate;1-propoxybutane?

The IUPAC name of dipotassium;4-[6-(2-butoxyethyl)-2-(2-methylpropyl)-8-[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-4-yl]-N,N-diphenylaniline;hydride;oxido formate;1-propoxybutane (CID 161319689) is dipotassium;4-[6-(2-butoxyethyl)-2-(2-methylpropyl)-8-[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-4-yl]-N,N-diphenylaniline;hydride;oxido formate;1-propoxybutane.

What is the SMILES notation for dipotassium;4-[6-(2-butoxyethyl)-2-(2-methylpropyl)-8-[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-4-yl]-N,N-diphenylaniline;hydride;oxido formate;1-propoxybutane?

The canonical SMILES for dipotassium;4-[6-(2-butoxyethyl)-2-(2-methylpropyl)-8-[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-4-yl]-N,N-diphenylaniline;hydride;oxido formate;1-propoxybutane is CCCCOCCC.CCCCOCCn1nc2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3n[n+](CC(C)C)[n-]c3c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2n1.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;4-[6-(2-butoxyethyl)-2-(2-methylpropyl)-8-[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-4-yl]-N,N-diphenylaniline;hydride;oxido formate;1-propoxybutane?

The InChIKey is IBDNWBKLTXPRAK-UHFFFAOYSA-M. The full InChI is InChI=1S/C52H50N8O.C7H16O.CH2O3.2K.H/c1-4-5-35-61-36-34-57-53-49-47(39-26-30-45(31-27-39)59(41-18-10-6-11-19-41)42-20-12-7-13-21-42)51-52(56-58(55-51)37-38(2)3)48(50(49)54-57)40-28-32-46(33-29-40)60(43-22-14-8-15-23-43)44-24-16-9-17-25-44;1-3-5-7-8-6-4-2;2-1-4-3;;;/h6-33,38H,4-5,34-37H2,1-3H3;3-7H2,1-2H3;1,3H;;;/q;;;2*+1;-1/p-1.

What are the key properties of dipotassium;4-[6-(2-butoxyethyl)-2-(2-methylpropyl)-8-[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-4-yl]-N,N-diphenylaniline;hydride;oxido formate;1-propoxybutane?

dipotassium;4-[6-(2-butoxyethyl)-2-(2-methylpropyl)-8-[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-4-yl]-N,N-diphenylaniline;hydride;oxido formate;1-propoxybutane has a molecular weight of 1059.45 g/mol, XLogP of 6.74, 22 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;4-[6-(2-butoxyethyl)-2-(2-methylpropyl)-8-[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-4-yl]-N,N-diphenylaniline;hydride;oxido formate;1-propoxybutane is sourced from PubChem (CID 161319689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).