Carbanide;4-[[5-cyano-1-(2-ethylhexyl)-6-hydroxy-4-methyl-2-oxo-3-pyridinyl]diazenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide;2-[[4-[[5-cyano-1-(2-ethylhexyl)-6-hydroxy-4-methyl-2-oxo-3-pyridinyl]diazenyl]phenyl]sulfonyl-(2-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate;tridecakis(yttrium)

C₅₇H₇₇N₁₀O₁₄S₂Y₁₃- — CID 157423273

About Carbanide;4-[[5-cyano-1-(2-ethylhexyl)-6-hydroxy-4-methyl-2-oxo-3-pyridinyl]diazenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide;2-[[4-[[5-cyano-1-(2-ethylhexyl)-6-hydroxy-4-methyl-2-oxo-3-pyridinyl]diazenyl]phenyl]sulfonyl-(2-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate;tridecakis(yttrium)

Carbanide;4-[[5-cyano-1-(2-ethylhexyl)-6-hydroxy-4-methyl-2-oxo-3-pyridinyl]diazenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide;2-[[4-[[5-cyano-1-(2-ethylhexyl)-6-hydroxy-4-methyl-2-oxo-3-pyridinyl]diazenyl]phenyl]sulfonyl-(2-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate;tridecakis(yttrium) (PubChem CID 157423273) has the molecular formula C₅₇H₇₇N₁₀O₁₄S₂Y₁₃- and a molecular weight of 2346.21 g/mol. Its IUPAC name is carbanide;4-[[5-cyano-1-(2-ethylhexyl)-6-hydroxy-4-methyl-2-oxo-3-pyridinyl]diazenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide;2-[[4-[[5-cyano-1-(2-ethylhexyl)-6-hydroxy-4-methyl-2-oxo-3-pyridinyl]diazenyl]phenyl]sulfonyl-(2-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate;tridecakis(yttrium).

Molecular Properties

• Compound Name: Carbanide;4-[[5-cyano-1-(2-ethylhexyl)-6-hydroxy-4-methyl-2-oxo-3-pyridinyl]diazenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide;2-[[4-[[5-cyano-1-(2-ethylhexyl)-6-hydroxy-4-methyl-2-oxo-3-pyridinyl]diazenyl]phenyl]sulfonyl-(2-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate;tridecakis(yttrium)
• PubChem CID: 157423273
• Molecular Formula: C₅₇H₇₇N₁₀O₁₄S₂Y₁₃-
• Molecular Weight: 2346.21 g/mol
• Exact Mass: 2345.28
• IUPAC Name: carbanide;4-[[5-cyano-1-(2-ethylhexyl)-6-hydroxy-4-methyl-2-oxo-3-pyridinyl]diazenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide;2-[[4-[[5-cyano-1-(2-ethylhexyl)-6-hydroxy-4-methyl-2-oxo-3-pyridinyl]diazenyl]phenyl]sulfonyl-(2-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate;tridecakis(yttrium)
• SMILES: C=CC(=O)OCCN(CCOC(=O)C=C)S(=O)(=O)c1ccc(/N=N/c2c(C)c(C#N)c(O)n(CC(CC)CCCC)c2=O)cc1.CCCCC(CC)Cn1c(O)c(C#N)c(C)c(/N=N/c2ccc(S(=O)(=O)N(CCO)CCO)cc2)c1=O.[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
• InChI: InChI=1S/C31H39N5O8S.C25H35N5O6S.CH3.13Y/c1-6-10-11-23(7-2)21-36-30(39)26(20-32)22(5)29(31(36)40)34-33-24-12-14-25(15-13-24)45(41,42)35(16-18-43-27(37)8-3)17-19-44-28(38)9-4;1-4-6-7-19(5-2)17-30-24(33)22(16-26)18(3)23(25(30)34)28-27-20-8-10-21(11-9-20)37(35,36)29(12-14-31)13-15-32;;;;;;;;;;;;;;/h8-9,12-15,23,39H,3-4,6-7,10-11,16-19,21H2,1-2,5H3;8-11,19,31-33H,4-7,12-15,17H2,1-3H3;1H3;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;/b34-33+;28-27+
• InChIKey: IDMMBFFFAKMAGY-WOCPYUSMSA-N
• XLogP: 8.57
• TPSA: 349.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 32
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2346.21
LogP ≤ 5	8.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Carbanide;4-[[5-cyano-1-(2-ethylhexyl)-6-hydroxy-4-methyl-2-oxo-3-pyridinyl]diazenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide;2-[[4-[[5-cyano-1-(2-ethylhexyl)-6-hydroxy-4-methyl-2-oxo-3-pyridinyl]diazenyl]phenyl]sulfonyl-(2-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate;tridecakis(yttrium)?

The IUPAC name of Carbanide;4-[[5-cyano-1-(2-ethylhexyl)-6-hydroxy-4-methyl-2-oxo-3-pyridinyl]diazenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide;2-[[4-[[5-cyano-1-(2-ethylhexyl)-6-hydroxy-4-methyl-2-oxo-3-pyridinyl]diazenyl]phenyl]sulfonyl-(2-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate;tridecakis(yttrium) (CID 157423273) is carbanide;4-[[5-cyano-1-(2-ethylhexyl)-6-hydroxy-4-methyl-2-oxo-3-pyridinyl]diazenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide;2-[[4-[[5-cyano-1-(2-ethylhexyl)-6-hydroxy-4-methyl-2-oxo-3-pyridinyl]diazenyl]phenyl]sulfonyl-(2-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate;tridecakis(yttrium).

What is the SMILES notation for Carbanide;4-[[5-cyano-1-(2-ethylhexyl)-6-hydroxy-4-methyl-2-oxo-3-pyridinyl]diazenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide;2-[[4-[[5-cyano-1-(2-ethylhexyl)-6-hydroxy-4-methyl-2-oxo-3-pyridinyl]diazenyl]phenyl]sulfonyl-(2-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate;tridecakis(yttrium)?

The canonical SMILES for Carbanide;4-[[5-cyano-1-(2-ethylhexyl)-6-hydroxy-4-methyl-2-oxo-3-pyridinyl]diazenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide;2-[[4-[[5-cyano-1-(2-ethylhexyl)-6-hydroxy-4-methyl-2-oxo-3-pyridinyl]diazenyl]phenyl]sulfonyl-(2-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate;tridecakis(yttrium) is C=CC(=O)OCCN(CCOC(=O)C=C)S(=O)(=O)c1ccc(/N=N/c2c(C)c(C#N)c(O)n(CC(CC)CCCC)c2=O)cc1.CCCCC(CC)Cn1c(O)c(C#N)c(C)c(/N=N/c2ccc(S(=O)(=O)N(CCO)CCO)cc2)c1=O.[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].

What is the InChIKey of Carbanide;4-[[5-cyano-1-(2-ethylhexyl)-6-hydroxy-4-methyl-2-oxo-3-pyridinyl]diazenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide;2-[[4-[[5-cyano-1-(2-ethylhexyl)-6-hydroxy-4-methyl-2-oxo-3-pyridinyl]diazenyl]phenyl]sulfonyl-(2-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate;tridecakis(yttrium)?

The InChIKey is IDMMBFFFAKMAGY-WOCPYUSMSA-N. The full InChI is InChI=1S/C31H39N5O8S.C25H35N5O6S.CH3.13Y/c1-6-10-11-23(7-2)21-36-30(39)26(20-32)22(5)29(31(36)40)34-33-24-12-14-25(15-13-24)45(41,42)35(16-18-43-27(37)8-3)17-19-44-28(38)9-4;1-4-6-7-19(5-2)17-30-24(33)22(16-26)18(3)23(25(30)34)28-27-20-8-10-21(11-9-20)37(35,36)29(12-14-31)13-15-32;;;;;;;;;;;;;;/h8-9,12-15,23,39H,3-4,6-7,10-11,16-19,21H2,1-2,5H3;8-11,19,31-33H,4-7,12-15,17H2,1-3H3;1H3;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;/b34-33+;28-27+;;;;;;;;;;;;;;.

What are the key properties of Carbanide;4-[[5-cyano-1-(2-ethylhexyl)-6-hydroxy-4-methyl-2-oxo-3-pyridinyl]diazenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide;2-[[4-[[5-cyano-1-(2-ethylhexyl)-6-hydroxy-4-methyl-2-oxo-3-pyridinyl]diazenyl]phenyl]sulfonyl-(2-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate;tridecakis(yttrium)?

Carbanide;4-[[5-cyano-1-(2-ethylhexyl)-6-hydroxy-4-methyl-2-oxo-3-pyridinyl]diazenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide;2-[[4-[[5-cyano-1-(2-ethylhexyl)-6-hydroxy-4-methyl-2-oxo-3-pyridinyl]diazenyl]phenyl]sulfonyl-(2-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate;tridecakis(yttrium) has a molecular weight of 2346.21 g/mol, XLogP of 8.57, 32 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for Carbanide;4-[[5-cyano-1-(2-ethylhexyl)-6-hydroxy-4-methyl-2-oxo-3-pyridinyl]diazenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide;2-[[4-[[5-cyano-1-(2-ethylhexyl)-6-hydroxy-4-methyl-2-oxo-3-pyridinyl]diazenyl]phenyl]sulfonyl-(2-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate;tridecakis(yttrium) is sourced from PubChem (CID 157423273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157423273 — identifiers, structure, computed properties (public domain)

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