beryllium;2-bromodibenzofuran;2-bromodibenzothiophene;9-bromo-7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;2-(4-bromo-2-nitrophenyl)dibenzofuran;2-dibenzofuran-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1,4-dibromo-2-nitrobenzene;7,9-dihydrofluoreno[2,3-b][1]benzofuran-9-ide;hydride;triphenylphosphane

C133H89BBeBr6N3O11PS2 — CID 159348269

About beryllium;2-bromodibenzofuran;2-bromodibenzothiophene;9-bromo-7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;2-(4-bromo-2-nitrophenyl)dibenzofuran;2-dibenzofuran-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1,4-dibromo-2-nitrobenzene;7,9-dihydrofluoreno[2,3-b][1]benzofuran-9-ide;hydride;triphenylphosphane

beryllium;2-bromodibenzofuran;2-bromodibenzothiophene;9-bromo-7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;2-(4-bromo-2-nitrophenyl)dibenzofuran;2-dibenzofuran-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1,4-dibromo-2-nitrobenzene;7,9-dihydrofluoreno[2,3-b][1]benzofuran-9-ide;hydride;triphenylphosphane (PubChem CID 159348269) has the molecular formula C133H89BBeBr6N3O11PS2 and a molecular weight of 2499.54 g/mol. Its IUPAC name is beryllium;2-bromodibenzofuran;2-bromodibenzothiophene;9-bromo-7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;2-(4-bromo-2-nitrophenyl)dibenzofuran;2-dibenzofuran-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1,4-dibromo-2-nitrobenzene;7,9-dihydrofluoreno[2,3-b][1]benzofuran-9-ide;hydride;triphenylphosphane.

Molecular Properties

• Compound Name: beryllium;2-bromodibenzofuran;2-bromodibenzothiophene;9-bromo-7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;2-(4-bromo-2-nitrophenyl)dibenzofuran;2-dibenzofuran-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1,4-dibromo-2-nitrobenzene;7,9-dihydrofluoreno[2,3-b][1]benzofuran-9-ide;hydride;triphenylphosphane
• PubChem CID: 159348269
• Molecular Formula: C133H89BBeBr6N3O11PS2
• Molecular Weight: 2499.54 g/mol
• Exact Mass: 2492.10
• IUPAC Name: beryllium;2-bromodibenzofuran;2-bromodibenzothiophene;9-bromo-7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;2-(4-bromo-2-nitrophenyl)dibenzofuran;2-dibenzofuran-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1,4-dibromo-2-nitrobenzene;7,9-dihydrofluoreno[2,3-b][1]benzofuran-9-ide;hydride;triphenylphosphane
• SMILES: Brc1ccc2c3cc4c(cc3n(-c3ccc5sc6ccccc6c5c3)c2c1)oc1ccccc14.Brc1ccc2oc3ccccc3c2c1.Brc1ccc2sc3ccccc3c2c1.CC1(C)OB(c2ccc3oc4ccccc4c3c2)OC1(C)C.O=[N+]([O-])c1cc(Br)ccc1-c1ccc2oc3ccccc3c2c1.O=[N+]([O-])c1cc(Br)ccc1Br.[Be+2].[H-].[c-]1ccc2c(c1)Cc1cc3oc4ccccc4c3cc1-2.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C30H16BrNOS.C19H11O.C18H19BO3.C18H10BrNO3.C18H15P.C12H7BrO.C12H7BrS.C6H3Br2NO2.Be.H/c31-17-9-11-19-22-15-23-20-5-1-3-7-27(20)33-28(23)16-26(22)32(25(19)13-17)18-10-12-30-24(14-18)21-6-2-4-8-29(21)34-30;1-2-6-14-12(5-1)9-13-10-19-17(11-16(13)14)15-7-3-4-8-18(15)20-19;1-17(2)18(3,4)22-19(21-17)12-9-10-16-14(11-12)13-7-5-6-8-15(13)20-16;19-12-6-7-13(16(10-12)20(21)22)11-5-8-18-15(9-11)14-3-1-2-4-17(14)23-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12;7-4-1-2-5(8)6(3-4)9(10)11;;/h1-16H;2-8,10-11H,9H2;5-11H,1-4H3;1-10H;1-15H;2*1-7H;1-3H;;/q;-1;;;;;;;+2;-1
• InChIKey: WDOQHPZBWNXSSU-UHFFFAOYSA-N
• XLogP: 40.04
• TPSA: 175.37 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2499.54
LogP ≤ 5	40.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of beryllium;2-bromodibenzofuran;2-bromodibenzothiophene;9-bromo-7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;2-(4-bromo-2-nitrophenyl)dibenzofuran;2-dibenzofuran-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1,4-dibromo-2-nitrobenzene;7,9-dihydrofluoreno[2,3-b][1]benzofuran-9-ide;hydride;triphenylphosphane?

The IUPAC name of beryllium;2-bromodibenzofuran;2-bromodibenzothiophene;9-bromo-7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;2-(4-bromo-2-nitrophenyl)dibenzofuran;2-dibenzofuran-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1,4-dibromo-2-nitrobenzene;7,9-dihydrofluoreno[2,3-b][1]benzofuran-9-ide;hydride;triphenylphosphane (CID 159348269) is beryllium;2-bromodibenzofuran;2-bromodibenzothiophene;9-bromo-7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;2-(4-bromo-2-nitrophenyl)dibenzofuran;2-dibenzofuran-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1,4-dibromo-2-nitrobenzene;7,9-dihydrofluoreno[2,3-b][1]benzofuran-9-ide;hydride;triphenylphosphane.

What is the SMILES notation for beryllium;2-bromodibenzofuran;2-bromodibenzothiophene;9-bromo-7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;2-(4-bromo-2-nitrophenyl)dibenzofuran;2-dibenzofuran-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1,4-dibromo-2-nitrobenzene;7,9-dihydrofluoreno[2,3-b][1]benzofuran-9-ide;hydride;triphenylphosphane?

The canonical SMILES for beryllium;2-bromodibenzofuran;2-bromodibenzothiophene;9-bromo-7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;2-(4-bromo-2-nitrophenyl)dibenzofuran;2-dibenzofuran-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1,4-dibromo-2-nitrobenzene;7,9-dihydrofluoreno[2,3-b][1]benzofuran-9-ide;hydride;triphenylphosphane is Brc1ccc2c3cc4c(cc3n(-c3ccc5sc6ccccc6c5c3)c2c1)oc1ccccc14.Brc1ccc2oc3ccccc3c2c1.Brc1ccc2sc3ccccc3c2c1.CC1(C)OB(c2ccc3oc4ccccc4c3c2)OC1(C)C.O=[N+]([O-])c1cc(Br)ccc1-c1ccc2oc3ccccc3c2c1.O=[N+]([O-])c1cc(Br)ccc1Br.[Be+2].[H-].[c-]1ccc2c(c1)Cc1cc3oc4ccccc4c3cc1-2.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of beryllium;2-bromodibenzofuran;2-bromodibenzothiophene;9-bromo-7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;2-(4-bromo-2-nitrophenyl)dibenzofuran;2-dibenzofuran-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1,4-dibromo-2-nitrobenzene;7,9-dihydrofluoreno[2,3-b][1]benzofuran-9-ide;hydride;triphenylphosphane?

The InChIKey is WDOQHPZBWNXSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16BrNOS.C19H11O.C18H19BO3.C18H10BrNO3.C18H15P.C12H7BrO.C12H7BrS.C6H3Br2NO2.Be.H/c31-17-9-11-19-22-15-23-20-5-1-3-7-27(20)33-28(23)16-26(22)32(25(19)13-17)18-10-12-30-24(14-18)21-6-2-4-8-29(21)34-30;1-2-6-14-12(5-1)9-13-10-19-17(11-16(13)14)15-7-3-4-8-18(15)20-19;1-17(2)18(3,4)22-19(21-17)12-9-10-16-14(11-12)13-7-5-6-8-15(13)20-16;19-12-6-7-13(16(10-12)20(21)22)11-5-8-18-15(9-11)14-3-1-2-4-17(14)23-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12;7-4-1-2-5(8)6(3-4)9(10)11;;/h1-16H;2-8,10-11H,9H2;5-11H,1-4H3;1-10H;1-15H;2*1-7H;1-3H;;/q;-1;;;;;;;+2;-1.

What are the key properties of beryllium;2-bromodibenzofuran;2-bromodibenzothiophene;9-bromo-7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;2-(4-bromo-2-nitrophenyl)dibenzofuran;2-dibenzofuran-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1,4-dibromo-2-nitrobenzene;7,9-dihydrofluoreno[2,3-b][1]benzofuran-9-ide;hydride;triphenylphosphane?

beryllium;2-bromodibenzofuran;2-bromodibenzothiophene;9-bromo-7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;2-(4-bromo-2-nitrophenyl)dibenzofuran;2-dibenzofuran-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1,4-dibromo-2-nitrobenzene;7,9-dihydrofluoreno[2,3-b][1]benzofuran-9-ide;hydride;triphenylphosphane has a molecular weight of 2499.54 g/mol, XLogP of 40.04, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for beryllium;2-bromodibenzofuran;2-bromodibenzothiophene;9-bromo-7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;2-(4-bromo-2-nitrophenyl)dibenzofuran;2-dibenzofuran-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1,4-dibromo-2-nitrobenzene;7,9-dihydrofluoreno[2,3-b][1]benzofuran-9-ide;hydride;triphenylphosphane is sourced from PubChem (CID 159348269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).