2,5-dimethyl-3,3,4-triphenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-methyl-3,5-bis(4-methylphenyl)-4-naphthalen-2-yl-3-phenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-[2-methyl-5-(4-methylphenyl)-3,3-dipyridin-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraen-4-yl]pyridine;2-methyl-5-(4-methylphenyl)-3,3,4-tris(4-phenylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-methyl-5-(4-methylphenyl)-3,3,4-trithiophen-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene

C178H148B5N3O5S3 — CID 158137214

About 2,5-dimethyl-3,3,4-triphenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-methyl-3,5-bis(4-methylphenyl)-4-naphthalen-2-yl-3-phenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-[2-methyl-5-(4-methylphenyl)-3,3-dipyridin-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraen-4-yl]pyridine;2-methyl-5-(4-methylphenyl)-3,3,4-tris(4-phenylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-methyl-5-(4-methylphenyl)-3,3,4-trithiophen-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene

2,5-dimethyl-3,3,4-triphenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-methyl-3,5-bis(4-methylphenyl)-4-naphthalen-2-yl-3-phenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-[2-methyl-5-(4-methylphenyl)-3,3-dipyridin-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraen-4-yl]pyridine;2-methyl-5-(4-methylphenyl)-3,3,4-tris(4-phenylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-methyl-5-(4-methylphenyl)-3,3,4-trithiophen-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene (PubChem CID 158137214) has the molecular formula C178H148B5N3O5S3 and a molecular weight of 2559.42 g/mol. Its IUPAC name is 2,5-dimethyl-3,3,4-triphenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-methyl-3,5-bis(4-methylphenyl)-4-naphthalen-2-yl-3-phenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-[2-methyl-5-(4-methylphenyl)-3,3-dipyridin-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraen-4-yl]pyridine;2-methyl-5-(4-methylphenyl)-3,3,4-tris(4-phenylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-methyl-5-(4-methylphenyl)-3,3,4-trithiophen-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene.

Molecular Properties

• Compound Name: 2,5-dimethyl-3,3,4-triphenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-methyl-3,5-bis(4-methylphenyl)-4-naphthalen-2-yl-3-phenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-[2-methyl-5-(4-methylphenyl)-3,3-dipyridin-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraen-4-yl]pyridine;2-methyl-5-(4-methylphenyl)-3,3,4-tris(4-phenylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-methyl-5-(4-methylphenyl)-3,3,4-trithiophen-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene
• PubChem CID: 158137214
• Molecular Formula: C178H148B5N3O5S3
• Molecular Weight: 2559.42 g/mol
• Exact Mass: 2558.10
• IUPAC Name: 2,5-dimethyl-3,3,4-triphenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-methyl-3,5-bis(4-methylphenyl)-4-naphthalen-2-yl-3-phenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-[2-methyl-5-(4-methylphenyl)-3,3-dipyridin-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraen-4-yl]pyridine;2-methyl-5-(4-methylphenyl)-3,3,4-tris(4-phenylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-methyl-5-(4-methylphenyl)-3,3,4-trithiophen-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene
• SMILES: CC1=C(c2ccccc2)[B-](c2ccccc2)(c2ccccc2)[O+](C)c2ccccc21.Cc1ccc(C2=C(c3ccc(-c4ccccc4)cc3)[B-](c3ccc(-c4ccccc4)cc3)(c3ccc(-c4ccccc4)cc3)[O+](C)c3ccccc32)cc1.Cc1ccc(C2=C(c3ccc4ccccc4c3)[B-](c3ccccc3)(c3ccc(C)cc3)[O+](C)c3ccccc32)cc1.Cc1ccc(C2=C(c3ccccn3)[B-](c3ccccn3)(c3ccccn3)[O+](C)c3ccccc32)cc1.Cc1ccc(C2=C(c3cccs3)[B-](c3cccs3)(c3cccs3)[O+](C)c3ccccc32)cc1
• InChI: InChI=1S/C52H41BO.C39H33BO.C31H26BN3O.C28H23BOS3.C28H25BO/c1-38-22-24-45(25-23-38)51-49-20-12-13-21-50(49)54(2)53(47-34-30-43(31-35-47)40-16-8-4-9-17-40,48-36-32-44(33-37-48)41-18-10-5-11-19-41)52(51)46-28-26-42(27-29-46)39-14-6-3-7-15-39;1-28-17-21-31(22-18-28)38-36-15-9-10-16-37(36)41(3)40(34-13-5-4-6-14-34,35-25-19-29(2)20-26-35)39(38)33-24-23-30-11-7-8-12-32(30)27-33;1-23-16-18-24(19-17-23)30-25-11-3-4-13-27(25)36(2)32(28-14-6-9-21-34-28,29-15-7-10-22-35-29)31(30)26-12-5-8-20-33-26;1-20-13-15-21(16-14-20)27-22-8-3-4-9-23(22)30(2)29(25-11-6-18-32-25,26-12-7-19-33-26)28(27)24-10-5-17-31-24;1-22-26-20-12-13-21-27(26)30(2)29(24-16-8-4-9-17-24,25-18-10-5-11-19-25)28(22)23-14-6-3-7-15-23/h3-37H,1-2H3;4-27H,1-3H3;3-22H,1-2H3;3-19H,1-2H3;3-21H,1-2H3
• InChIKey: FTMHWKYUIRTOIZ-UHFFFAOYSA-N
• XLogP: 39.31
• TPSA: 52.17 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 22
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2559.42
LogP ≤ 5	39.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3,3,4-triphenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-methyl-3,5-bis(4-methylphenyl)-4-naphthalen-2-yl-3-phenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-[2-methyl-5-(4-methylphenyl)-3,3-dipyridin-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraen-4-yl]pyridine;2-methyl-5-(4-methylphenyl)-3,3,4-tris(4-phenylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-methyl-5-(4-methylphenyl)-3,3,4-trithiophen-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene?

The IUPAC name of 2,5-dimethyl-3,3,4-triphenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-methyl-3,5-bis(4-methylphenyl)-4-naphthalen-2-yl-3-phenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-[2-methyl-5-(4-methylphenyl)-3,3-dipyridin-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraen-4-yl]pyridine;2-methyl-5-(4-methylphenyl)-3,3,4-tris(4-phenylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-methyl-5-(4-methylphenyl)-3,3,4-trithiophen-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene (CID 158137214) is 2,5-dimethyl-3,3,4-triphenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-methyl-3,5-bis(4-methylphenyl)-4-naphthalen-2-yl-3-phenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-[2-methyl-5-(4-methylphenyl)-3,3-dipyridin-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraen-4-yl]pyridine;2-methyl-5-(4-methylphenyl)-3,3,4-tris(4-phenylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-methyl-5-(4-methylphenyl)-3,3,4-trithiophen-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene.

What is the SMILES notation for 2,5-dimethyl-3,3,4-triphenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-methyl-3,5-bis(4-methylphenyl)-4-naphthalen-2-yl-3-phenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-[2-methyl-5-(4-methylphenyl)-3,3-dipyridin-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraen-4-yl]pyridine;2-methyl-5-(4-methylphenyl)-3,3,4-tris(4-phenylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-methyl-5-(4-methylphenyl)-3,3,4-trithiophen-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene?

The canonical SMILES for 2,5-dimethyl-3,3,4-triphenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-methyl-3,5-bis(4-methylphenyl)-4-naphthalen-2-yl-3-phenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-[2-methyl-5-(4-methylphenyl)-3,3-dipyridin-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraen-4-yl]pyridine;2-methyl-5-(4-methylphenyl)-3,3,4-tris(4-phenylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-methyl-5-(4-methylphenyl)-3,3,4-trithiophen-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene is CC1=C(c2ccccc2)[B-](c2ccccc2)(c2ccccc2)[O+](C)c2ccccc21.Cc1ccc(C2=C(c3ccc(-c4ccccc4)cc3)[B-](c3ccc(-c4ccccc4)cc3)(c3ccc(-c4ccccc4)cc3)[O+](C)c3ccccc32)cc1.Cc1ccc(C2=C(c3ccc4ccccc4c3)[B-](c3ccccc3)(c3ccc(C)cc3)[O+](C)c3ccccc32)cc1.Cc1ccc(C2=C(c3ccccn3)[B-](c3ccccn3)(c3ccccn3)[O+](C)c3ccccc32)cc1.Cc1ccc(C2=C(c3cccs3)[B-](c3cccs3)(c3cccs3)[O+](C)c3ccccc32)cc1.

What is the InChIKey of 2,5-dimethyl-3,3,4-triphenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-methyl-3,5-bis(4-methylphenyl)-4-naphthalen-2-yl-3-phenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-[2-methyl-5-(4-methylphenyl)-3,3-dipyridin-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraen-4-yl]pyridine;2-methyl-5-(4-methylphenyl)-3,3,4-tris(4-phenylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-methyl-5-(4-methylphenyl)-3,3,4-trithiophen-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene?

The InChIKey is FTMHWKYUIRTOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H41BO.C39H33BO.C31H26BN3O.C28H23BOS3.C28H25BO/c1-38-22-24-45(25-23-38)51-49-20-12-13-21-50(49)54(2)53(47-34-30-43(31-35-47)40-16-8-4-9-17-40,48-36-32-44(33-37-48)41-18-10-5-11-19-41)52(51)46-28-26-42(27-29-46)39-14-6-3-7-15-39;1-28-17-21-31(22-18-28)38-36-15-9-10-16-37(36)41(3)40(34-13-5-4-6-14-34,35-25-19-29(2)20-26-35)39(38)33-24-23-30-11-7-8-12-32(30)27-33;1-23-16-18-24(19-17-23)30-25-11-3-4-13-27(25)36(2)32(28-14-6-9-21-34-28,29-15-7-10-22-35-29)31(30)26-12-5-8-20-33-26;1-20-13-15-21(16-14-20)27-22-8-3-4-9-23(22)30(2)29(25-11-6-18-32-25,26-12-7-19-33-26)28(27)24-10-5-17-31-24;1-22-26-20-12-13-21-27(26)30(2)29(24-16-8-4-9-17-24,25-18-10-5-11-19-25)28(22)23-14-6-3-7-15-23/h3-37H,1-2H3;4-27H,1-3H3;3-22H,1-2H3;3-19H,1-2H3;3-21H,1-2H3.

What are the key properties of 2,5-dimethyl-3,3,4-triphenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-methyl-3,5-bis(4-methylphenyl)-4-naphthalen-2-yl-3-phenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-[2-methyl-5-(4-methylphenyl)-3,3-dipyridin-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraen-4-yl]pyridine;2-methyl-5-(4-methylphenyl)-3,3,4-tris(4-phenylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-methyl-5-(4-methylphenyl)-3,3,4-trithiophen-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene?

2,5-dimethyl-3,3,4-triphenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-methyl-3,5-bis(4-methylphenyl)-4-naphthalen-2-yl-3-phenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-[2-methyl-5-(4-methylphenyl)-3,3-dipyridin-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraen-4-yl]pyridine;2-methyl-5-(4-methylphenyl)-3,3,4-tris(4-phenylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-methyl-5-(4-methylphenyl)-3,3,4-trithiophen-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene has a molecular weight of 2559.42 g/mol, XLogP of 39.31, 22 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-3,3,4-triphenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-methyl-3,5-bis(4-methylphenyl)-4-naphthalen-2-yl-3-phenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-[2-methyl-5-(4-methylphenyl)-3,3-dipyridin-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraen-4-yl]pyridine;2-methyl-5-(4-methylphenyl)-3,3,4-tris(4-phenylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-methyl-5-(4-methylphenyl)-3,3,4-trithiophen-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene is sourced from PubChem (CID 158137214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).