cesium;heptalithium;bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate);2-(1,3-benzoxazol-3-ium-2-yl)naphthalen-1-olate;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-[(4-cyanophenyl)azaniumylidenemethyl]phenolate;2-[(2,4-dimethylphenyl)azaniumylidenemethyl]phenolate;2-(6-methyl-1,3-benzoxazol-3-ium-2-yl)naphthalen-1-olate;2-[(3-methylphenyl)azaniumylidenemethyl]phenolate

C117H89CsLi7N9O11S2+8 — CID 157152054

About cesium;heptalithium;bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate);2-(1,3-benzoxazol-3-ium-2-yl)naphthalen-1-olate;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-[(4-cyanophenyl)azaniumylidenemethyl]phenolate;2-[(2,4-dimethylphenyl)azaniumylidenemethyl]phenolate;2-(6-methyl-1,3-benzoxazol-3-ium-2-yl)naphthalen-1-olate;2-[(3-methylphenyl)azaniumylidenemethyl]phenolate

cesium;heptalithium;bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate);2-(1,3-benzoxazol-3-ium-2-yl)naphthalen-1-olate;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-[(4-cyanophenyl)azaniumylidenemethyl]phenolate;2-[(2,4-dimethylphenyl)azaniumylidenemethyl]phenolate;2-(6-methyl-1,3-benzoxazol-3-ium-2-yl)naphthalen-1-olate;2-[(3-methylphenyl)azaniumylidenemethyl]phenolate (PubChem CID 157152054) has the molecular formula C117H89CsLi7N9O11S2+8 and a molecular weight of 2042.68 g/mol. Its IUPAC name is cesium;heptalithium;bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate);2-(1,3-benzoxazol-3-ium-2-yl)naphthalen-1-olate;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-[(4-cyanophenyl)azaniumylidenemethyl]phenolate;2-[(2,4-dimethylphenyl)azaniumylidenemethyl]phenolate;2-(6-methyl-1,3-benzoxazol-3-ium-2-yl)naphthalen-1-olate;2-[(3-methylphenyl)azaniumylidenemethyl]phenolate.

Molecular Properties

• Compound Name: cesium;heptalithium;bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate);2-(1,3-benzoxazol-3-ium-2-yl)naphthalen-1-olate;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-[(4-cyanophenyl)azaniumylidenemethyl]phenolate;2-[(2,4-dimethylphenyl)azaniumylidenemethyl]phenolate;2-(6-methyl-1,3-benzoxazol-3-ium-2-yl)naphthalen-1-olate;2-[(3-methylphenyl)azaniumylidenemethyl]phenolate
• PubChem CID: 157152054
• Molecular Formula: C117H89CsLi7N9O11S2+8
• Molecular Weight: 2042.68 g/mol
• Exact Mass: 2041.63
• IUPAC Name: cesium;heptalithium;bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate);2-(1,3-benzoxazol-3-ium-2-yl)naphthalen-1-olate;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-[(4-cyanophenyl)azaniumylidenemethyl]phenolate;2-[(2,4-dimethylphenyl)azaniumylidenemethyl]phenolate;2-(6-methyl-1,3-benzoxazol-3-ium-2-yl)naphthalen-1-olate;2-[(3-methylphenyl)azaniumylidenemethyl]phenolate
• SMILES: Cc1ccc(/[NH+]=C/c2ccccc2[O-])c(C)c1.Cc1ccc2[nH+]c(-c3ccc4ccccc4c3[O-])oc2c1.Cc1cccc(/[NH+]=C/c2ccccc2[O-])c1.N#Cc1ccc(/[NH+]=C/c2ccccc2[O-])cc1.[Cs+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[O-]c1c(-c2[nH+]c3ccccc3o2)ccc2ccccc12.[O-]c1ccccc1-c1[nH+]c2ccccc2o1.[O-]c1ccccc1-c1[nH+]c2ccccc2s1.[O-]c1ccccc1-c1[nH+]c2ccccc2s1
• InChI: InChI=1S/C18H13NO2.C17H11NO2.C15H15NO.C14H10N2O.C14H13NO.C13H9NO2.2C13H9NOS.Cs.7Li/c1-11-6-9-15-16(10-11)21-18(19-15)14-8-7-12-4-2-3-5-13(12)17(14)20;19-16-12-6-2-1-5-11(12)9-10-13(16)17-18-14-7-3-4-8-15(14)20-17;1-11-7-8-14(12(2)9-11)16-10-13-5-3-4-6-15(13)17;15-9-11-5-7-13(8-6-11)16-10-12-3-1-2-4-14(12)17;1-11-5-4-7-13(9-11)15-10-12-6-2-3-8-14(12)16;3*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;;;;;;;;/h2-10,20H,1H3;1-10,19H;3-10,17H,1-2H3;1-8,10,17H;2-10,16H,1H3;3*1-8,15H;;;;;;;;/q;;;;;;;;8*+1/b;;2*16-10+;15-10+
• InChIKey: ALJGYGIYUDHOTO-ZKZWTMIYSA-N
• XLogP: -7.91
• TPSA: 360.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2042.68
LogP ≤ 5	-7.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cesium;heptalithium;bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate);2-(1,3-benzoxazol-3-ium-2-yl)naphthalen-1-olate;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-[(4-cyanophenyl)azaniumylidenemethyl]phenolate;2-[(2,4-dimethylphenyl)azaniumylidenemethyl]phenolate;2-(6-methyl-1,3-benzoxazol-3-ium-2-yl)naphthalen-1-olate;2-[(3-methylphenyl)azaniumylidenemethyl]phenolate?

The IUPAC name of cesium;heptalithium;bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate);2-(1,3-benzoxazol-3-ium-2-yl)naphthalen-1-olate;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-[(4-cyanophenyl)azaniumylidenemethyl]phenolate;2-[(2,4-dimethylphenyl)azaniumylidenemethyl]phenolate;2-(6-methyl-1,3-benzoxazol-3-ium-2-yl)naphthalen-1-olate;2-[(3-methylphenyl)azaniumylidenemethyl]phenolate (CID 157152054) is cesium;heptalithium;bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate);2-(1,3-benzoxazol-3-ium-2-yl)naphthalen-1-olate;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-[(4-cyanophenyl)azaniumylidenemethyl]phenolate;2-[(2,4-dimethylphenyl)azaniumylidenemethyl]phenolate;2-(6-methyl-1,3-benzoxazol-3-ium-2-yl)naphthalen-1-olate;2-[(3-methylphenyl)azaniumylidenemethyl]phenolate.

What is the SMILES notation for cesium;heptalithium;bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate);2-(1,3-benzoxazol-3-ium-2-yl)naphthalen-1-olate;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-[(4-cyanophenyl)azaniumylidenemethyl]phenolate;2-[(2,4-dimethylphenyl)azaniumylidenemethyl]phenolate;2-(6-methyl-1,3-benzoxazol-3-ium-2-yl)naphthalen-1-olate;2-[(3-methylphenyl)azaniumylidenemethyl]phenolate?

The canonical SMILES for cesium;heptalithium;bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate);2-(1,3-benzoxazol-3-ium-2-yl)naphthalen-1-olate;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-[(4-cyanophenyl)azaniumylidenemethyl]phenolate;2-[(2,4-dimethylphenyl)azaniumylidenemethyl]phenolate;2-(6-methyl-1,3-benzoxazol-3-ium-2-yl)naphthalen-1-olate;2-[(3-methylphenyl)azaniumylidenemethyl]phenolate is Cc1ccc(/[NH+]=C/c2ccccc2[O-])c(C)c1.Cc1ccc2[nH+]c(-c3ccc4ccccc4c3[O-])oc2c1.Cc1cccc(/[NH+]=C/c2ccccc2[O-])c1.N#Cc1ccc(/[NH+]=C/c2ccccc2[O-])cc1.[Cs+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[O-]c1c(-c2[nH+]c3ccccc3o2)ccc2ccccc12.[O-]c1ccccc1-c1[nH+]c2ccccc2o1.[O-]c1ccccc1-c1[nH+]c2ccccc2s1.[O-]c1ccccc1-c1[nH+]c2ccccc2s1.

What is the InChIKey of cesium;heptalithium;bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate);2-(1,3-benzoxazol-3-ium-2-yl)naphthalen-1-olate;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-[(4-cyanophenyl)azaniumylidenemethyl]phenolate;2-[(2,4-dimethylphenyl)azaniumylidenemethyl]phenolate;2-(6-methyl-1,3-benzoxazol-3-ium-2-yl)naphthalen-1-olate;2-[(3-methylphenyl)azaniumylidenemethyl]phenolate?

The InChIKey is ALJGYGIYUDHOTO-ZKZWTMIYSA-N. The full InChI is InChI=1S/C18H13NO2.C17H11NO2.C15H15NO.C14H10N2O.C14H13NO.C13H9NO2.2C13H9NOS.Cs.7Li/c1-11-6-9-15-16(10-11)21-18(19-15)14-8-7-12-4-2-3-5-13(12)17(14)20;19-16-12-6-2-1-5-11(12)9-10-13(16)17-18-14-7-3-4-8-15(14)20-17;1-11-7-8-14(12(2)9-11)16-10-13-5-3-4-6-15(13)17;15-9-11-5-7-13(8-6-11)16-10-12-3-1-2-4-14(12)17;1-11-5-4-7-13(9-11)15-10-12-6-2-3-8-14(12)16;3*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;;;;;;;;/h2-10,20H,1H3;1-10,19H;3-10,17H,1-2H3;1-8,10,17H;2-10,16H,1H3;3*1-8,15H;;;;;;;;/q;;;;;;;;8*+1/b;;2*16-10+;15-10+;;;;;;;;;;;.

What are the key properties of cesium;heptalithium;bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate);2-(1,3-benzoxazol-3-ium-2-yl)naphthalen-1-olate;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-[(4-cyanophenyl)azaniumylidenemethyl]phenolate;2-[(2,4-dimethylphenyl)azaniumylidenemethyl]phenolate;2-(6-methyl-1,3-benzoxazol-3-ium-2-yl)naphthalen-1-olate;2-[(3-methylphenyl)azaniumylidenemethyl]phenolate?

cesium;heptalithium;bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate);2-(1,3-benzoxazol-3-ium-2-yl)naphthalen-1-olate;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-[(4-cyanophenyl)azaniumylidenemethyl]phenolate;2-[(2,4-dimethylphenyl)azaniumylidenemethyl]phenolate;2-(6-methyl-1,3-benzoxazol-3-ium-2-yl)naphthalen-1-olate;2-[(3-methylphenyl)azaniumylidenemethyl]phenolate has a molecular weight of 2042.68 g/mol, XLogP of -7.91, 11 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for cesium;heptalithium;bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate);2-(1,3-benzoxazol-3-ium-2-yl)naphthalen-1-olate;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-[(4-cyanophenyl)azaniumylidenemethyl]phenolate;2-[(2,4-dimethylphenyl)azaniumylidenemethyl]phenolate;2-(6-methyl-1,3-benzoxazol-3-ium-2-yl)naphthalen-1-olate;2-[(3-methylphenyl)azaniumylidenemethyl]phenolate is sourced from PubChem (CID 157152054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).