tetraberyllium;bis(2-(5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(5-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(6-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(7-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate)

C144H104Be4N8O8S8+8 — CID 158925567

IUPACtetraberyllium;bis(2-(5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(5-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(6-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(7-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate)
SMILESCc1cc2[nH+]c(-c3ccccc3[O-])sc2cc1C.Cc1cc2[nH+]c(-c3ccccc3[O-])sc2cc1C.[Be+2].[Be+2].[Be+2].[Be+2].[O-]c1ccccc1-c1[nH+]c2cc(-c3ccccc3)ccc2s1.[O-]c1ccccc1-c1[nH+]c2cc(-c3ccccc3)ccc2s1.[O-]c1ccccc1-c1[nH+]c2ccc(-c3ccccc3)cc2s1.[O-]c1ccccc1-c1[nH+]c2ccc(-c3ccccc3)cc2s1.[O-]c1ccccc1-c1[nH+]c2cccc(-c3ccccc3)c2s1.[O-]c1ccccc1-c1[nH+]c2cccc(-c3ccccc3)c2s1
InChIInChI=1S/6C19H13NOS.2C15H13NOS.4Be/c2*21-17-12-5-4-9-15(17)19-20-16-11-6-10-14(18(16)22-19)13-7-2-1-3-8-13;2*21-17-9-5-4-8-15(17)19-20-16-12-14(10-11-18(16)22-19)13-6-2-1-3-7-13;2*21-17-9-5-4-8-15(17)19-20-16-11-10-14(12-18(16)22-19)13-6-2-1-3-7-13;2*1-9-7-12-14(8-10(9)2)18-15(16-12)11-5-3-4-6-13(11)17;;;;/h6*1-12,21H;2*3-8,17H,1-2H3;;;;/q;;;;;;;;4*+2
InChIKeyJIJYVRSGXJOZLN-UHFFFAOYSA-N
MW2367.05 g/mol
LogP29.36
Rot. Bonds14

About tetraberyllium;bis(2-(5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(5-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(6-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(7-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate)

tetraberyllium;bis(2-(5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(5-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(6-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(7-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate) (PubChem CID 158925567) has the molecular formula C144H104Be4N8O8S8+8 and a molecular weight of 2367.05 g/mol. Its IUPAC name is tetraberyllium;bis(2-(5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(5-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(6-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(7-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate).

Molecular Properties

Compound Nametetraberyllium;bis(2-(5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(5-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(6-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(7-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate)
PubChem CID158925567
Molecular FormulaC144H104Be4N8O8S8+8
Molecular Weight2367.05 g/mol
Exact Mass2364.62
IUPAC Nametetraberyllium;bis(2-(5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(5-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(6-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(7-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate)
SMILESCc1cc2[nH+]c(-c3ccccc3[O-])sc2cc1C.Cc1cc2[nH+]c(-c3ccccc3[O-])sc2cc1C.[Be+2].[Be+2].[Be+2].[Be+2].[O-]c1ccccc1-c1[nH+]c2cc(-c3ccccc3)ccc2s1.[O-]c1ccccc1-c1[nH+]c2cc(-c3ccccc3)ccc2s1.[O-]c1ccccc1-c1[nH+]c2ccc(-c3ccccc3)cc2s1.[O-]c1ccccc1-c1[nH+]c2ccc(-c3ccccc3)cc2s1.[O-]c1ccccc1-c1[nH+]c2cccc(-c3ccccc3)c2s1.[O-]c1ccccc1-c1[nH+]c2cccc(-c3ccccc3)c2s1
InChIInChI=1S/6C19H13NOS.2C15H13NOS.4Be/c2*21-17-12-5-4-9-15(17)19-20-16-11-6-10-14(18(16)22-19)13-7-2-1-3-8-13;2*21-17-9-5-4-8-15(17)19-20-16-12-14(10-11-18(16)22-19)13-6-2-1-3-7-13;2*21-17-9-5-4-8-15(17)19-20-16-11-10-14(12-18(16)22-19)13-6-2-1-3-7-13;2*1-9-7-12-14(8-10(9)2)18-15(16-12)11-5-3-4-6-13(11)17;;;;/h6*1-12,21H;2*3-8,17H,1-2H3;;;;/q;;;;;;;;4*+2
InChIKeyJIJYVRSGXJOZLN-UHFFFAOYSA-N
XLogP29.36
TPSA297.60 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002367.05
LogP ≤ 529.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze tetraberyllium;bis(2-(5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(5-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(6-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(7-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate) with MolForge

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Frequently Asked Questions

What is the IUPAC name of tetraberyllium;bis(2-(5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(5-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(6-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(7-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate)?
The IUPAC name of tetraberyllium;bis(2-(5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(5-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(6-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(7-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate) (CID 158925567) is tetraberyllium;bis(2-(5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(5-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(6-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(7-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate).
What is the SMILES notation for tetraberyllium;bis(2-(5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(5-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(6-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(7-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate)?
The canonical SMILES for tetraberyllium;bis(2-(5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(5-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(6-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(7-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate) is Cc1cc2[nH+]c(-c3ccccc3[O-])sc2cc1C.Cc1cc2[nH+]c(-c3ccccc3[O-])sc2cc1C.[Be+2].[Be+2].[Be+2].[Be+2].[O-]c1ccccc1-c1[nH+]c2cc(-c3ccccc3)ccc2s1.[O-]c1ccccc1-c1[nH+]c2cc(-c3ccccc3)ccc2s1.[O-]c1ccccc1-c1[nH+]c2ccc(-c3ccccc3)cc2s1.[O-]c1ccccc1-c1[nH+]c2ccc(-c3ccccc3)cc2s1.[O-]c1ccccc1-c1[nH+]c2cccc(-c3ccccc3)c2s1.[O-]c1ccccc1-c1[nH+]c2cccc(-c3ccccc3)c2s1.
What is the InChIKey of tetraberyllium;bis(2-(5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(5-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(6-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(7-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate)?
The InChIKey is JIJYVRSGXJOZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/6C19H13NOS.2C15H13NOS.4Be/c2*21-17-12-5-4-9-15(17)19-20-16-11-6-10-14(18(16)22-19)13-7-2-1-3-8-13;2*21-17-9-5-4-8-15(17)19-20-16-12-14(10-11-18(16)22-19)13-6-2-1-3-7-13;2*21-17-9-5-4-8-15(17)19-20-16-11-10-14(12-18(16)22-19)13-6-2-1-3-7-13;2*1-9-7-12-14(8-10(9)2)18-15(16-12)11-5-3-4-6-13(11)17;;;;/h6*1-12,21H;2*3-8,17H,1-2H3;;;;/q;;;;;;;;4*+2.
What are the key properties of tetraberyllium;bis(2-(5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(5-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(6-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(7-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate)?
tetraberyllium;bis(2-(5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(5-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(6-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(7-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate) has a molecular weight of 2367.05 g/mol, XLogP of 29.36, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetraberyllium;bis(2-(5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(5-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(6-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate);bis(2-(7-phenyl-1,3-benzothiazol-3-ium-2-yl)phenolate) is sourced from PubChem (CID 158925567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).