hexalithium;5-[[4-[5-amino-3-[3-[5-amino-1-[4-(3,5-dicarboxylatoanilino)-6-oxido-1,3,5-triazin-2-yl]-4-[(4-isocyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-3-yl]propyl]-4-[(4-cyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-1-yl]-6-oxido-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate

C51H30Li6N24O10 — CID 59601363

About hexalithium;5-[[4-[5-amino-3-[3-[5-amino-1-[4-(3,5-dicarboxylatoanilino)-6-oxido-1,3,5-triazin-2-yl]-4-[(4-isocyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-3-yl]propyl]-4-[(4-cyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-1-yl]-6-oxido-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate

hexalithium;5-[[4-[5-amino-3-[3-[5-amino-1-[4-(3,5-dicarboxylatoanilino)-6-oxido-1,3,5-triazin-2-yl]-4-[(4-isocyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-3-yl]propyl]-4-[(4-cyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-1-yl]-6-oxido-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate (PubChem CID 59601363) has the molecular formula C51H30Li6N24O10 and a molecular weight of 1180.60 g/mol. Its IUPAC name is hexalithium;5-[[4-[5-amino-3-[3-[5-amino-1-[4-(3,5-dicarboxylatoanilino)-6-oxido-1,3,5-triazin-2-yl]-4-[(4-isocyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-3-yl]propyl]-4-[(4-cyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-1-yl]-6-oxido-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate.

Molecular Properties

• Compound Name: hexalithium;5-[[4-[5-amino-3-[3-[5-amino-1-[4-(3,5-dicarboxylatoanilino)-6-oxido-1,3,5-triazin-2-yl]-4-[(4-isocyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-3-yl]propyl]-4-[(4-cyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-1-yl]-6-oxido-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate
• PubChem CID: 59601363
• Molecular Formula: C51H30Li6N24O10
• Molecular Weight: 1180.60 g/mol
• Exact Mass: 1180.35
• IUPAC Name: hexalithium;5-[[4-[5-amino-3-[3-[5-amino-1-[4-(3,5-dicarboxylatoanilino)-6-oxido-1,3,5-triazin-2-yl]-4-[(4-isocyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-3-yl]propyl]-4-[(4-cyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-1-yl]-6-oxido-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate
• SMILES: [C-]#[N+]c1cnn(-c2ccccc2)c1/N=N/c1c(CCCc2nn(-c3nc([O-])nc(Nc4cc(C(=O)[O-])cc(C(=O)[O-])c4)n3)c(N)c2/N=N/c2c(C#N)cnn2-c2ccccc2)nn(-c2nc([O-])nc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)n2)c1N.[Li+].[Li+].[Li+].[Li+].[Li+].[Li+]
• InChI: InChI=1S/C51H36N24O10.6Li/c1-55-35-23-57-73(32-11-6-3-7-12-32)41(35)69-67-37-34(71-75(39(37)54)49-61-47(63-51(85)65-49)59-30-19-26(44(80)81)16-27(20-30)45(82)83)14-8-13-33-36(66-68-40-28(21-52)22-56-72(40)31-9-4-2-5-10-31)38(53)74(70-33)48-60-46(62-50(84)64-48)58-29-17-24(42(76)77)15-25(18-29)43(78)79;;;;;;/h2-7,9-12,15-20,22-23H,8,13-14,53-54H2,(H,76,77)(H,78,79)(H,80,81)(H,82,83)(H2,58,60,62,64,84)(H2,59,61,63,65,85);;;;;;/q;6*+1/p-6/b68-66+,69-67+
• InChIKey: NTVYZQAYZZYCNX-AJHXDQNSSA-H
• XLogP: -17.50
• TPSA: 508.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 20
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1180.60
LogP ≤ 5	-17.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

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'}

Frequently Asked Questions

What is the IUPAC name of hexalithium;5-[[4-[5-amino-3-[3-[5-amino-1-[4-(3,5-dicarboxylatoanilino)-6-oxido-1,3,5-triazin-2-yl]-4-[(4-isocyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-3-yl]propyl]-4-[(4-cyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-1-yl]-6-oxido-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate?

The IUPAC name of hexalithium;5-[[4-[5-amino-3-[3-[5-amino-1-[4-(3,5-dicarboxylatoanilino)-6-oxido-1,3,5-triazin-2-yl]-4-[(4-isocyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-3-yl]propyl]-4-[(4-cyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-1-yl]-6-oxido-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate (CID 59601363) is hexalithium;5-[[4-[5-amino-3-[3-[5-amino-1-[4-(3,5-dicarboxylatoanilino)-6-oxido-1,3,5-triazin-2-yl]-4-[(4-isocyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-3-yl]propyl]-4-[(4-cyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-1-yl]-6-oxido-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate.

What is the SMILES notation for hexalithium;5-[[4-[5-amino-3-[3-[5-amino-1-[4-(3,5-dicarboxylatoanilino)-6-oxido-1,3,5-triazin-2-yl]-4-[(4-isocyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-3-yl]propyl]-4-[(4-cyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-1-yl]-6-oxido-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate?

The canonical SMILES for hexalithium;5-[[4-[5-amino-3-[3-[5-amino-1-[4-(3,5-dicarboxylatoanilino)-6-oxido-1,3,5-triazin-2-yl]-4-[(4-isocyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-3-yl]propyl]-4-[(4-cyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-1-yl]-6-oxido-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate is [C-]#[N+]c1cnn(-c2ccccc2)c1/N=N/c1c(CCCc2nn(-c3nc([O-])nc(Nc4cc(C(=O)[O-])cc(C(=O)[O-])c4)n3)c(N)c2/N=N/c2c(C#N)cnn2-c2ccccc2)nn(-c2nc([O-])nc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)n2)c1N.[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].

What is the InChIKey of hexalithium;5-[[4-[5-amino-3-[3-[5-amino-1-[4-(3,5-dicarboxylatoanilino)-6-oxido-1,3,5-triazin-2-yl]-4-[(4-isocyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-3-yl]propyl]-4-[(4-cyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-1-yl]-6-oxido-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate?

The InChIKey is NTVYZQAYZZYCNX-AJHXDQNSSA-H. The full InChI is InChI=1S/C51H36N24O10.6Li/c1-55-35-23-57-73(32-11-6-3-7-12-32)41(35)69-67-37-34(71-75(39(37)54)49-61-47(63-51(85)65-49)59-30-19-26(44(80)81)16-27(20-30)45(82)83)14-8-13-33-36(66-68-40-28(21-52)22-56-72(40)31-9-4-2-5-10-31)38(53)74(70-33)48-60-46(62-50(84)64-48)58-29-17-24(42(76)77)15-25(18-29)43(78)79;;;;;;/h2-7,9-12,15-20,22-23H,8,13-14,53-54H2,(H,76,77)(H,78,79)(H,80,81)(H,82,83)(H2,58,60,62,64,84)(H2,59,61,63,65,85);;;;;;/q;6*+1/p-6/b68-66+,69-67+;;;;;;.

What are the key properties of hexalithium;5-[[4-[5-amino-3-[3-[5-amino-1-[4-(3,5-dicarboxylatoanilino)-6-oxido-1,3,5-triazin-2-yl]-4-[(4-isocyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-3-yl]propyl]-4-[(4-cyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-1-yl]-6-oxido-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate?

hexalithium;5-[[4-[5-amino-3-[3-[5-amino-1-[4-(3,5-dicarboxylatoanilino)-6-oxido-1,3,5-triazin-2-yl]-4-[(4-isocyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-3-yl]propyl]-4-[(4-cyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-1-yl]-6-oxido-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate has a molecular weight of 1180.60 g/mol, XLogP of -17.50, 20 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for hexalithium;5-[[4-[5-amino-3-[3-[5-amino-1-[4-(3,5-dicarboxylatoanilino)-6-oxido-1,3,5-triazin-2-yl]-4-[(4-isocyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-3-yl]propyl]-4-[(4-cyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-1-yl]-6-oxido-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 59601363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).