beryllium;bis(2-(1,3-benzothiazol-2-yl)naphthalen-1-ol);bis(2-(1,3-benzothiazol-2-yl)phenol);2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;hydride

C100H67BeN7O4S4 — CID 158300943

IUPACberyllium;bis(2-(1,3-benzothiazol-2-yl)naphthalen-1-ol);bis(2-(1,3-benzothiazol-2-yl)phenol);2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;hydride
SMILESOc1c(-c2nc3ccccc3s2)ccc2ccccc12.Oc1c(-c2nc3ccccc3s2)ccc2ccccc12.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2s1.[Be+2].[H-].[H-].c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)n2)cc1
InChIInChI=1S/C40H25N3.2C17H11NOS.2C13H9NOS.Be.2H/c1-3-13-26(14-4-1)37-41-38(27-15-5-2-6-16-27)43-39(42-37)28-23-24-32-31-19-9-12-22-35(31)40(36(32)25-28)33-20-10-7-17-29(33)30-18-8-11-21-34(30)40;2*19-16-12-6-2-1-5-11(12)9-10-13(16)17-18-14-7-3-4-8-15(14)20-17;2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;;;/h1-25H;2*1-10,19H;2*1-8,15H;;;/q;;;;;+2;2*-1
InChIKeyMNIIDXKWOJJIBQ-UHFFFAOYSA-N
MW1567.96 g/mol
LogP26.04
Rot. Bonds7

About beryllium;bis(2-(1,3-benzothiazol-2-yl)naphthalen-1-ol);bis(2-(1,3-benzothiazol-2-yl)phenol);2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;hydride

beryllium;bis(2-(1,3-benzothiazol-2-yl)naphthalen-1-ol);bis(2-(1,3-benzothiazol-2-yl)phenol);2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;hydride (PubChem CID 158300943) has the molecular formula C100H67BeN7O4S4 and a molecular weight of 1567.96 g/mol. Its IUPAC name is beryllium;bis(2-(1,3-benzothiazol-2-yl)naphthalen-1-ol);bis(2-(1,3-benzothiazol-2-yl)phenol);2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;hydride.

Molecular Properties

Compound Nameberyllium;bis(2-(1,3-benzothiazol-2-yl)naphthalen-1-ol);bis(2-(1,3-benzothiazol-2-yl)phenol);2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;hydride
PubChem CID158300943
Molecular FormulaC100H67BeN7O4S4
Molecular Weight1567.96 g/mol
Exact Mass1566.43
IUPAC Nameberyllium;bis(2-(1,3-benzothiazol-2-yl)naphthalen-1-ol);bis(2-(1,3-benzothiazol-2-yl)phenol);2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;hydride
SMILESOc1c(-c2nc3ccccc3s2)ccc2ccccc12.Oc1c(-c2nc3ccccc3s2)ccc2ccccc12.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2s1.[Be+2].[H-].[H-].c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)n2)cc1
InChIInChI=1S/C40H25N3.2C17H11NOS.2C13H9NOS.Be.2H/c1-3-13-26(14-4-1)37-41-38(27-15-5-2-6-16-27)43-39(42-37)28-23-24-32-31-19-9-12-22-35(31)40(36(32)25-28)33-20-10-7-17-29(33)30-18-8-11-21-34(30)40;2*19-16-12-6-2-1-5-11(12)9-10-13(16)17-18-14-7-3-4-8-15(14)20-17;2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;;;/h1-25H;2*1-10,19H;2*1-8,15H;;;/q;;;;;+2;2*-1
InChIKeyMNIIDXKWOJJIBQ-UHFFFAOYSA-N
XLogP26.04
TPSA171.15 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001567.96
LogP ≤ 526.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze beryllium;bis(2-(1,3-benzothiazol-2-yl)naphthalen-1-ol);bis(2-(1,3-benzothiazol-2-yl)phenol);2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;hydride with MolForge

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Related Compounds

3,6-Bis(1,3-benzothiazol-2-yl)-1-[3,6-bis(1,3-benzothiazol-2-yl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
CID 135854997
1-(1,3-Benzothiazol-2-yl)-9,9-dimethylfluoren-2-ol;2-(1,3-benzothiazol-2-yl)-4-(9,9-dimethylfluoren-2-yl)phenol;ZINC
CID 136084577
Bis(3,6-bis(1,3-benzothiazol-2-yl)naphthalen-2-ol);copper
CID 136121212
Tris(3,6-bis(1,3-benzothiazol-2-yl)naphthalen-2-ol);iron
CID 136121220
CID 157051001
CID 157051001
Beryllium;bis(2-(1,3-benzothiazol-2-yl)phenolate);2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 157058323
Bis(2-(1,3-benzothiazol-2-yl)phenol);5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;2-[4-(2-oxo-1,3-diphenyl-1,3,2lambda5-benzodiazaphosphol-2-yl)phenyl]-1,3-diphenyl-1,3,2lambda5-benzodiazaphosphole 2-oxide;ZINC
CID 157063535
beryllium;2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;bis(2-(1,3-benzothiazol-2-yl)phenol);2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-(3H-indol-1-ium-2-yl)naphthalen-1-olate;zinc
CID 157081590
Beryllium;bis(2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(2-(1,3-benzothiazol-2-yl)phenol);2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;ZINC
CID 157113939
beryllium;bis(2-(3a,7a-dihydro-1,3-benzothiazol-2-yl)phenol);2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;12-(2,6-diphenyl-4-pyridinyl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-(3H-indol-1-ium-2-yl)naphthalen-1-olate;zinc
CID 157412559
beryllium;2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;bis(2-(1,3-benzothiazol-2-yl)phenol);12-(2,6-diphenyl-4-pyridinyl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-(3H-indol-1-ium-2-yl)naphthalen-1-olate;zinc
CID 157802989
CID 158165492
CID 158165492

Frequently Asked Questions

What is the IUPAC name of beryllium;bis(2-(1,3-benzothiazol-2-yl)naphthalen-1-ol);bis(2-(1,3-benzothiazol-2-yl)phenol);2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;hydride?
The IUPAC name of beryllium;bis(2-(1,3-benzothiazol-2-yl)naphthalen-1-ol);bis(2-(1,3-benzothiazol-2-yl)phenol);2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;hydride (CID 158300943) is beryllium;bis(2-(1,3-benzothiazol-2-yl)naphthalen-1-ol);bis(2-(1,3-benzothiazol-2-yl)phenol);2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;hydride.
What is the SMILES notation for beryllium;bis(2-(1,3-benzothiazol-2-yl)naphthalen-1-ol);bis(2-(1,3-benzothiazol-2-yl)phenol);2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;hydride?
The canonical SMILES for beryllium;bis(2-(1,3-benzothiazol-2-yl)naphthalen-1-ol);bis(2-(1,3-benzothiazol-2-yl)phenol);2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;hydride is Oc1c(-c2nc3ccccc3s2)ccc2ccccc12.Oc1c(-c2nc3ccccc3s2)ccc2ccccc12.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2s1.[Be+2].[H-].[H-].c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)n2)cc1.
What is the InChIKey of beryllium;bis(2-(1,3-benzothiazol-2-yl)naphthalen-1-ol);bis(2-(1,3-benzothiazol-2-yl)phenol);2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;hydride?
The InChIKey is MNIIDXKWOJJIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N3.2C17H11NOS.2C13H9NOS.Be.2H/c1-3-13-26(14-4-1)37-41-38(27-15-5-2-6-16-27)43-39(42-37)28-23-24-32-31-19-9-12-22-35(31)40(36(32)25-28)33-20-10-7-17-29(33)30-18-8-11-21-34(30)40;2*19-16-12-6-2-1-5-11(12)9-10-13(16)17-18-14-7-3-4-8-15(14)20-17;2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;;;/h1-25H;2*1-10,19H;2*1-8,15H;;;/q;;;;;+2;2*-1.
What are the key properties of beryllium;bis(2-(1,3-benzothiazol-2-yl)naphthalen-1-ol);bis(2-(1,3-benzothiazol-2-yl)phenol);2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;hydride?
beryllium;bis(2-(1,3-benzothiazol-2-yl)naphthalen-1-ol);bis(2-(1,3-benzothiazol-2-yl)phenol);2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;hydride has a molecular weight of 1567.96 g/mol, XLogP of 26.04, 7 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for beryllium;bis(2-(1,3-benzothiazol-2-yl)naphthalen-1-ol);bis(2-(1,3-benzothiazol-2-yl)phenol);2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;hydride is sourced from PubChem (CID 158300943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).