tetraberyllium;bis(2-benzo[e][1,3]benzothiazol-1-ium-2-ylnaphthalen-1-olate);bis(3-benzo[e][1,3]benzothiazol-1-ium-2-ylnaphthalen-2-olate);bis(2-benzo[g][1,3]benzothiazol-3-ium-2-ylnaphthalen-1-olate);bis(3-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate)

C162H104Be4N8O8S8+8 — CID 158281192

IUPACtetraberyllium;bis(2-benzo[e][1,3]benzothiazol-1-ium-2-ylnaphthalen-1-olate);bis(3-benzo[e][1,3]benzothiazol-1-ium-2-ylnaphthalen-2-olate);bis(2-benzo[g][1,3]benzothiazol-3-ium-2-ylnaphthalen-1-olate);bis(3-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate)
SMILESCc1ccc2[nH+]c(-c3cc4ccccc4cc3[O-])sc2c1.Cc1ccc2[nH+]c(-c3cc4ccccc4cc3[O-])sc2c1.[Be+2].[Be+2].[Be+2].[Be+2].[O-]c1c(-c2[nH+]c3c(ccc4ccccc43)s2)ccc2ccccc12.[O-]c1c(-c2[nH+]c3c(ccc4ccccc43)s2)ccc2ccccc12.[O-]c1c(-c2[nH+]c3ccc4ccccc4c3s2)ccc2ccccc12.[O-]c1c(-c2[nH+]c3ccc4ccccc4c3s2)ccc2ccccc12.[O-]c1cc2ccccc2cc1-c1[nH+]c2c(ccc3ccccc32)s1.[O-]c1cc2ccccc2cc1-c1[nH+]c2c(ccc3ccccc32)s1
InChIInChI=1S/6C21H13NOS.2C18H13NOS.4Be/c2*23-20-16-8-4-2-6-14(16)9-11-17(20)21-22-19-15-7-3-1-5-13(15)10-12-18(19)24-21;2*23-19-15-7-3-1-5-13(15)9-11-17(19)21-22-18-12-10-14-6-2-4-8-16(14)20(18)24-21;2*23-18-12-15-7-2-1-6-14(15)11-17(18)21-22-20-16-8-4-3-5-13(16)9-10-19(20)24-21;2*1-11-6-7-15-17(8-11)21-18(19-15)14-9-12-4-2-3-5-13(12)10-16(14)20;;;;/h6*1-12,23H;2*2-10,20H,1H3;;;;/q;;;;;;;;4*+2
InChIKeyGKFPUCLRUQXQFQ-UHFFFAOYSA-N
MW2583.25 g/mol
LogP34.89
Rot. Bonds8

About tetraberyllium;bis(2-benzo[e][1,3]benzothiazol-1-ium-2-ylnaphthalen-1-olate);bis(3-benzo[e][1,3]benzothiazol-1-ium-2-ylnaphthalen-2-olate);bis(2-benzo[g][1,3]benzothiazol-3-ium-2-ylnaphthalen-1-olate);bis(3-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate)

tetraberyllium;bis(2-benzo[e][1,3]benzothiazol-1-ium-2-ylnaphthalen-1-olate);bis(3-benzo[e][1,3]benzothiazol-1-ium-2-ylnaphthalen-2-olate);bis(2-benzo[g][1,3]benzothiazol-3-ium-2-ylnaphthalen-1-olate);bis(3-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate) (PubChem CID 158281192) has the molecular formula C162H104Be4N8O8S8+8 and a molecular weight of 2583.25 g/mol. Its IUPAC name is tetraberyllium;bis(2-benzo[e][1,3]benzothiazol-1-ium-2-ylnaphthalen-1-olate);bis(3-benzo[e][1,3]benzothiazol-1-ium-2-ylnaphthalen-2-olate);bis(2-benzo[g][1,3]benzothiazol-3-ium-2-ylnaphthalen-1-olate);bis(3-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate).

Molecular Properties

Compound Nametetraberyllium;bis(2-benzo[e][1,3]benzothiazol-1-ium-2-ylnaphthalen-1-olate);bis(3-benzo[e][1,3]benzothiazol-1-ium-2-ylnaphthalen-2-olate);bis(2-benzo[g][1,3]benzothiazol-3-ium-2-ylnaphthalen-1-olate);bis(3-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate)
PubChem CID158281192
Molecular FormulaC162H104Be4N8O8S8+8
Molecular Weight2583.25 g/mol
Exact Mass2580.62
IUPAC Nametetraberyllium;bis(2-benzo[e][1,3]benzothiazol-1-ium-2-ylnaphthalen-1-olate);bis(3-benzo[e][1,3]benzothiazol-1-ium-2-ylnaphthalen-2-olate);bis(2-benzo[g][1,3]benzothiazol-3-ium-2-ylnaphthalen-1-olate);bis(3-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate)
SMILESCc1ccc2[nH+]c(-c3cc4ccccc4cc3[O-])sc2c1.Cc1ccc2[nH+]c(-c3cc4ccccc4cc3[O-])sc2c1.[Be+2].[Be+2].[Be+2].[Be+2].[O-]c1c(-c2[nH+]c3c(ccc4ccccc43)s2)ccc2ccccc12.[O-]c1c(-c2[nH+]c3c(ccc4ccccc43)s2)ccc2ccccc12.[O-]c1c(-c2[nH+]c3ccc4ccccc4c3s2)ccc2ccccc12.[O-]c1c(-c2[nH+]c3ccc4ccccc4c3s2)ccc2ccccc12.[O-]c1cc2ccccc2cc1-c1[nH+]c2c(ccc3ccccc32)s1.[O-]c1cc2ccccc2cc1-c1[nH+]c2c(ccc3ccccc32)s1
InChIInChI=1S/6C21H13NOS.2C18H13NOS.4Be/c2*23-20-16-8-4-2-6-14(16)9-11-17(20)21-22-19-15-7-3-1-5-13(15)10-12-18(19)24-21;2*23-19-15-7-3-1-5-13(15)9-11-17(19)21-22-18-12-10-14-6-2-4-8-16(14)20(18)24-21;2*23-18-12-15-7-2-1-6-14(15)11-17(18)21-22-20-16-8-4-3-5-13(16)9-10-19(20)24-21;2*1-11-6-7-15-17(8-11)21-18(19-15)14-9-12-4-2-3-5-13(12)10-16(14)20;;;;/h6*1-12,23H;2*2-10,20H,1H3;;;;/q;;;;;;;;4*+2
InChIKeyGKFPUCLRUQXQFQ-UHFFFAOYSA-N
XLogP34.89
TPSA297.60 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002583.25
LogP ≤ 534.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze tetraberyllium;bis(2-benzo[e][1,3]benzothiazol-1-ium-2-ylnaphthalen-1-olate);bis(3-benzo[e][1,3]benzothiazol-1-ium-2-ylnaphthalen-2-olate);bis(2-benzo[g][1,3]benzothiazol-3-ium-2-ylnaphthalen-1-olate);bis(3-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate) with MolForge

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Related Compounds

Tris[[3,6-bis(1,3-benzothiazol-2-yl)naphthalen-2-yl]oxy]alumane
CID 23382152
Beryllium bis(3-benzo[e][1,3]benzothiazol-1-ium-2-ylnaphthalen-2-olate)
CID 57621627
Beryllium bis(2-(5-phenylbenzo[e][1,3]benzothiazol-1-ium-2-yl)phenolate)
CID 57621634
Beryllium bis(2-benzo[e][1,3]benzothiazol-1-ium-2-ylnaphthalen-1-olate)
CID 57621782
Beryllium bis(2-phenanthro[9,10-d][1,3]thiazol-3-ium-2-ylphenolate)
CID 57621801
Beryllium bis(2-benzo[g][1,3]benzothiazol-3-ium-2-ylnaphthalen-1-olate)
CID 57621823
Beryllium bis(3-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate)
CID 57621834
Beryllium bis(3-benzo[g][1,3]benzothiazol-3-ium-2-ylnaphthalen-2-olate)
CID 57621839
Beryllium bis(2-(5-phenylbenzo[g][1,3]benzothiazol-3-ium-2-yl)phenolate)
CID 57621845
Beryllium bis(3-(5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate)
CID 57621866
Beryllium bis(3-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate)
CID 57621875
Beryllium bis(2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate)
CID 57621888

Frequently Asked Questions

What is the IUPAC name of tetraberyllium;bis(2-benzo[e][1,3]benzothiazol-1-ium-2-ylnaphthalen-1-olate);bis(3-benzo[e][1,3]benzothiazol-1-ium-2-ylnaphthalen-2-olate);bis(2-benzo[g][1,3]benzothiazol-3-ium-2-ylnaphthalen-1-olate);bis(3-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate)?
The IUPAC name of tetraberyllium;bis(2-benzo[e][1,3]benzothiazol-1-ium-2-ylnaphthalen-1-olate);bis(3-benzo[e][1,3]benzothiazol-1-ium-2-ylnaphthalen-2-olate);bis(2-benzo[g][1,3]benzothiazol-3-ium-2-ylnaphthalen-1-olate);bis(3-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate) (CID 158281192) is tetraberyllium;bis(2-benzo[e][1,3]benzothiazol-1-ium-2-ylnaphthalen-1-olate);bis(3-benzo[e][1,3]benzothiazol-1-ium-2-ylnaphthalen-2-olate);bis(2-benzo[g][1,3]benzothiazol-3-ium-2-ylnaphthalen-1-olate);bis(3-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate).
What is the SMILES notation for tetraberyllium;bis(2-benzo[e][1,3]benzothiazol-1-ium-2-ylnaphthalen-1-olate);bis(3-benzo[e][1,3]benzothiazol-1-ium-2-ylnaphthalen-2-olate);bis(2-benzo[g][1,3]benzothiazol-3-ium-2-ylnaphthalen-1-olate);bis(3-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate)?
The canonical SMILES for tetraberyllium;bis(2-benzo[e][1,3]benzothiazol-1-ium-2-ylnaphthalen-1-olate);bis(3-benzo[e][1,3]benzothiazol-1-ium-2-ylnaphthalen-2-olate);bis(2-benzo[g][1,3]benzothiazol-3-ium-2-ylnaphthalen-1-olate);bis(3-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate) is Cc1ccc2[nH+]c(-c3cc4ccccc4cc3[O-])sc2c1.Cc1ccc2[nH+]c(-c3cc4ccccc4cc3[O-])sc2c1.[Be+2].[Be+2].[Be+2].[Be+2].[O-]c1c(-c2[nH+]c3c(ccc4ccccc43)s2)ccc2ccccc12.[O-]c1c(-c2[nH+]c3c(ccc4ccccc43)s2)ccc2ccccc12.[O-]c1c(-c2[nH+]c3ccc4ccccc4c3s2)ccc2ccccc12.[O-]c1c(-c2[nH+]c3ccc4ccccc4c3s2)ccc2ccccc12.[O-]c1cc2ccccc2cc1-c1[nH+]c2c(ccc3ccccc32)s1.[O-]c1cc2ccccc2cc1-c1[nH+]c2c(ccc3ccccc32)s1.
What is the InChIKey of tetraberyllium;bis(2-benzo[e][1,3]benzothiazol-1-ium-2-ylnaphthalen-1-olate);bis(3-benzo[e][1,3]benzothiazol-1-ium-2-ylnaphthalen-2-olate);bis(2-benzo[g][1,3]benzothiazol-3-ium-2-ylnaphthalen-1-olate);bis(3-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate)?
The InChIKey is GKFPUCLRUQXQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/6C21H13NOS.2C18H13NOS.4Be/c2*23-20-16-8-4-2-6-14(16)9-11-17(20)21-22-19-15-7-3-1-5-13(15)10-12-18(19)24-21;2*23-19-15-7-3-1-5-13(15)9-11-17(19)21-22-18-12-10-14-6-2-4-8-16(14)20(18)24-21;2*23-18-12-15-7-2-1-6-14(15)11-17(18)21-22-20-16-8-4-3-5-13(16)9-10-19(20)24-21;2*1-11-6-7-15-17(8-11)21-18(19-15)14-9-12-4-2-3-5-13(12)10-16(14)20;;;;/h6*1-12,23H;2*2-10,20H,1H3;;;;/q;;;;;;;;4*+2.
What are the key properties of tetraberyllium;bis(2-benzo[e][1,3]benzothiazol-1-ium-2-ylnaphthalen-1-olate);bis(3-benzo[e][1,3]benzothiazol-1-ium-2-ylnaphthalen-2-olate);bis(2-benzo[g][1,3]benzothiazol-3-ium-2-ylnaphthalen-1-olate);bis(3-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate)?
tetraberyllium;bis(2-benzo[e][1,3]benzothiazol-1-ium-2-ylnaphthalen-1-olate);bis(3-benzo[e][1,3]benzothiazol-1-ium-2-ylnaphthalen-2-olate);bis(2-benzo[g][1,3]benzothiazol-3-ium-2-ylnaphthalen-1-olate);bis(3-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate) has a molecular weight of 2583.25 g/mol, XLogP of 34.89, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetraberyllium;bis(2-benzo[e][1,3]benzothiazol-1-ium-2-ylnaphthalen-1-olate);bis(3-benzo[e][1,3]benzothiazol-1-ium-2-ylnaphthalen-2-olate);bis(2-benzo[g][1,3]benzothiazol-3-ium-2-ylnaphthalen-1-olate);bis(3-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate) is sourced from PubChem (CID 158281192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).