beryllium;bis(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;methane;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile

C114H77BeN7O2S2+2 — CID 158475325

About beryllium;bis(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;methane;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile

beryllium;bis(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;methane;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile (PubChem CID 158475325) has the molecular formula C114H77BeN7O2S2+2 and a molecular weight of 1650.06 g/mol. Its IUPAC name is beryllium;bis(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;methane;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile.

Molecular Properties

• Compound Name: beryllium;bis(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;methane;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile
• PubChem CID: 158475325
• Molecular Formula: C114H77BeN7O2S2+2
• Molecular Weight: 1650.06 g/mol
• Exact Mass: 1648.57
• IUPAC Name: beryllium;bis(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;methane;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile
• SMILES: C.Cc1ccc(C2(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc3-c3cc(C#N)ccc32)cc1.[Be+2].[O-]c1cc2ccccc2cc1-c1[nH+]c2ccccc2s1.[O-]c1cc2ccccc2cc1-c1[nH+]c2ccccc2s1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)n2)cc1
• InChI: InChI=1S/C40H25N3.C39H26N2.2C17H11NOS.CH4.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;1-26-15-18-28(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;2-24H,1H3;2*1-10,19H;1H4;/q;;;;;+2
• InChIKey: HGWAPIDTMVDFMR-UHFFFAOYSA-N
• XLogP: 26.02
• TPSA: 141.79 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1650.06
LogP ≤ 5	26.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of beryllium;bis(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;methane;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile?

The IUPAC name of beryllium;bis(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;methane;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile (CID 158475325) is beryllium;bis(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;methane;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile.

What is the SMILES notation for beryllium;bis(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;methane;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile?

The canonical SMILES for beryllium;bis(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;methane;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile is C.Cc1ccc(C2(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc3-c3cc(C#N)ccc32)cc1.[Be+2].[O-]c1cc2ccccc2cc1-c1[nH+]c2ccccc2s1.[O-]c1cc2ccccc2cc1-c1[nH+]c2ccccc2s1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)n2)cc1.

What is the InChIKey of beryllium;bis(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;methane;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile?

The InChIKey is HGWAPIDTMVDFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N3.C39H26N2.2C17H11NOS.CH4.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;1-26-15-18-28(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;2-24H,1H3;2*1-10,19H;1H4;/q;;;;;+2.

What are the key properties of beryllium;bis(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;methane;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile?

beryllium;bis(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;methane;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile has a molecular weight of 1650.06 g/mol, XLogP of 26.02, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for beryllium;bis(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;methane;9-(4-methylphenyl)-9-(9-phenylcarbazol-3-yl)fluorene-3-carbonitrile is sourced from PubChem (CID 158475325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).