beryllium;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-ol;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile

C152H99BeN10O2S2+3 — CID 158683724

About beryllium;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-ol;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile

beryllium;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-ol;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile (PubChem CID 158683724) has the molecular formula C152H99BeN10O2S2+3 and a molecular weight of 2170.68 g/mol. Its IUPAC name is beryllium;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-ol;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile.

Molecular Properties

• Compound Name: beryllium;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-ol;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile
• PubChem CID: 158683724
• Molecular Formula: C152H99BeN10O2S2+3
• Molecular Weight: 2170.68 g/mol
• Exact Mass: 2168.75
• IUPAC Name: beryllium;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-ol;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile
• SMILES: Cc1ccc(C2(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc3-c3cc(C#N)ccc32)cc1.Oc1cc2ccccc2cc1-c1[nH+]c2ccccc2s1.[Be+2].[O-]c1cc2ccccc2cc1-c1[nH+]c2ccccc2s1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)n2)cc1
• InChI: InChI=1S/C40H25N3.C39H25N3.C39H26N2.2C17H11NOS.Be/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;1-3-12-26(13-4-1)37-40-38(27-14-5-2-6-15-27)42-39(41-37)30-17-11-16-28(24-30)29-22-23-35-33-20-8-7-18-31(33)32-19-9-10-21-34(32)36(35)25-29;1-26-15-18-28(19-16-26)39(35-13-7-5-11-31(35)33-23-27(25-40)17-21-36(33)39)29-20-22-38-34(24-29)32-12-6-8-14-37(32)41(38)30-9-3-2-4-10-30;2*19-15-10-12-6-2-1-5-11(12)9-13(15)17-18-14-7-3-4-8-16(14)20-17;/h1-25H;1-25H;2-24H,1H3;2*1-10,19H;/q;;;;;+2/p+1
• InChIKey: WKJBUIFCWARPGW-UHFFFAOYSA-O
• XLogP: 36.01
• TPSA: 177.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2170.68
LogP ≤ 5	36.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of beryllium;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-ol;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile?

The IUPAC name of beryllium;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-ol;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile (CID 158683724) is beryllium;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-ol;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile.

What is the SMILES notation for beryllium;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-ol;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile?

The canonical SMILES for beryllium;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-ol;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile is Cc1ccc(C2(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc3-c3cc(C#N)ccc32)cc1.Oc1cc2ccccc2cc1-c1[nH+]c2ccccc2s1.[Be+2].[O-]c1cc2ccccc2cc1-c1[nH+]c2ccccc2s1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)n2)cc1.

What is the InChIKey of beryllium;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-ol;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile?

The InChIKey is WKJBUIFCWARPGW-UHFFFAOYSA-O. The full InChI is InChI=1S/C40H25N3.C39H25N3.C39H26N2.2C17H11NOS.Be/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;1-3-12-26(13-4-1)37-40-38(27-14-5-2-6-15-27)42-39(41-37)30-17-11-16-28(24-30)29-22-23-35-33-20-8-7-18-31(33)32-19-9-10-21-34(32)36(35)25-29;1-26-15-18-28(19-16-26)39(35-13-7-5-11-31(35)33-23-27(25-40)17-21-36(33)39)29-20-22-38-34(24-29)32-12-6-8-14-37(32)41(38)30-9-3-2-4-10-30;2*19-15-10-12-6-2-1-5-11(12)9-13(15)17-18-14-7-3-4-8-16(14)20-17;/h1-25H;1-25H;2-24H,1H3;2*1-10,19H;/q;;;;;+2/p+1.

What are the key properties of beryllium;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-ol;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile?

beryllium;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-ol;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile has a molecular weight of 2170.68 g/mol, XLogP of 36.01, 12 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for beryllium;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-ol;3-(1,3-benzothiazol-3-ium-2-yl)naphthalen-2-olate;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile is sourced from PubChem (CID 158683724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).