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

C162H150B5N3O5S3 — CID 158611088

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

5-cyclohexyl-2-methyl-3,3,4-triphenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;5-cyclohexyl-2-methyl-3,3,4-tris(4-methylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-(2,5-dimethyl-3,3-dipyridin-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraen-4-yl)pyridine;2,5-dimethyl-3,3,4-tris(4-phenylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2,5-dimethyl-3,3,4-trithiophen-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene (PubChem CID 158611088) has the molecular formula C162H150B5N3O5S3 and a molecular weight of 2369.26 g/mol. Its IUPAC name is 5-cyclohexyl-2-methyl-3,3,4-triphenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;5-cyclohexyl-2-methyl-3,3,4-tris(4-methylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-(2,5-dimethyl-3,3-dipyridin-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraen-4-yl)pyridine;2,5-dimethyl-3,3,4-tris(4-phenylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2,5-dimethyl-3,3,4-trithiophen-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene.

Molecular Properties

• Compound Name: 5-cyclohexyl-2-methyl-3,3,4-triphenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;5-cyclohexyl-2-methyl-3,3,4-tris(4-methylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-(2,5-dimethyl-3,3-dipyridin-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraen-4-yl)pyridine;2,5-dimethyl-3,3,4-tris(4-phenylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2,5-dimethyl-3,3,4-trithiophen-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene
• PubChem CID: 158611088
• Molecular Formula: C162H150B5N3O5S3
• Molecular Weight: 2369.26 g/mol
• Exact Mass: 2368.12
• IUPAC Name: 5-cyclohexyl-2-methyl-3,3,4-triphenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;5-cyclohexyl-2-methyl-3,3,4-tris(4-methylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-(2,5-dimethyl-3,3-dipyridin-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraen-4-yl)pyridine;2,5-dimethyl-3,3,4-tris(4-phenylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2,5-dimethyl-3,3,4-trithiophen-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene
• SMILES: CC1=C(c2ccc(-c3ccccc3)cc2)[B-](c2ccc(-c3ccccc3)cc2)(c2ccc(-c3ccccc3)cc2)[O+](C)c2ccccc21.CC1=C(c2ccccn2)[B-](c2ccccn2)(c2ccccn2)[O+](C)c2ccccc21.CC1=C(c2cccs2)[B-](c2cccs2)(c2cccs2)[O+](C)c2ccccc21.C[O+]1c2ccccc2C(C2CCCCC2)=C(c2ccccc2)[B-]1(c1ccccc1)c1ccccc1.Cc1ccc(C2=C(C3CCCCC3)c3ccccc3[O+](C)[B-]2(c2ccc(C)cc2)c2ccc(C)cc2)cc1
• InChI: InChI=1S/C46H37BO.C36H39BO.C33H33BO.C25H22BN3O.C22H19BOS3/c1-34-44-20-12-13-21-45(44)48(2)47(42-30-26-39(27-31-42)36-16-8-4-9-17-36,43-32-28-40(29-33-43)37-18-10-5-11-19-37)46(34)41-24-22-38(23-25-41)35-14-6-3-7-15-35;1-26-14-20-30(21-15-26)36-35(29-10-6-5-7-11-29)33-12-8-9-13-34(33)38(4)37(36,31-22-16-27(2)17-23-31)32-24-18-28(3)19-25-32;1-35-31-25-15-14-24-30(31)32(26-16-6-2-7-17-26)33(27-18-8-3-9-19-27)34(35,28-20-10-4-11-21-28)29-22-12-5-13-23-29;1-19-20-11-3-4-13-22(20)30(2)26(23-14-6-9-17-28-23,24-15-7-10-18-29-24)25(19)21-12-5-8-16-27-21;1-16-17-8-3-4-9-18(17)24(2)23(20-11-6-14-26-20,21-12-7-15-27-21)22(16)19-10-5-13-25-19/h3-33H,1-2H3;8-9,12-25,29H,5-7,10-11H2,1-4H3;3-5,8-15,18-26H,2,6-7,16-17H2,1H3;3-18H,1-2H3;3-15H,1-2H3
• InChIKey: HWVRXVPZFSOFTJ-UHFFFAOYSA-N
• XLogP: 36.54
• TPSA: 52.17 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 20
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2369.26
LogP ≤ 5	36.54
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 5-cyclohexyl-2-methyl-3,3,4-triphenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;5-cyclohexyl-2-methyl-3,3,4-tris(4-methylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-(2,5-dimethyl-3,3-dipyridin-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraen-4-yl)pyridine;2,5-dimethyl-3,3,4-tris(4-phenylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2,5-dimethyl-3,3,4-trithiophen-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene?

The IUPAC name of 5-cyclohexyl-2-methyl-3,3,4-triphenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;5-cyclohexyl-2-methyl-3,3,4-tris(4-methylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-(2,5-dimethyl-3,3-dipyridin-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraen-4-yl)pyridine;2,5-dimethyl-3,3,4-tris(4-phenylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2,5-dimethyl-3,3,4-trithiophen-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene (CID 158611088) is 5-cyclohexyl-2-methyl-3,3,4-triphenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;5-cyclohexyl-2-methyl-3,3,4-tris(4-methylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-(2,5-dimethyl-3,3-dipyridin-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraen-4-yl)pyridine;2,5-dimethyl-3,3,4-tris(4-phenylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2,5-dimethyl-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 5-cyclohexyl-2-methyl-3,3,4-triphenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;5-cyclohexyl-2-methyl-3,3,4-tris(4-methylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-(2,5-dimethyl-3,3-dipyridin-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraen-4-yl)pyridine;2,5-dimethyl-3,3,4-tris(4-phenylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2,5-dimethyl-3,3,4-trithiophen-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene?

The canonical SMILES for 5-cyclohexyl-2-methyl-3,3,4-triphenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;5-cyclohexyl-2-methyl-3,3,4-tris(4-methylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-(2,5-dimethyl-3,3-dipyridin-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraen-4-yl)pyridine;2,5-dimethyl-3,3,4-tris(4-phenylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2,5-dimethyl-3,3,4-trithiophen-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene is CC1=C(c2ccc(-c3ccccc3)cc2)[B-](c2ccc(-c3ccccc3)cc2)(c2ccc(-c3ccccc3)cc2)[O+](C)c2ccccc21.CC1=C(c2ccccn2)[B-](c2ccccn2)(c2ccccn2)[O+](C)c2ccccc21.CC1=C(c2cccs2)[B-](c2cccs2)(c2cccs2)[O+](C)c2ccccc21.C[O+]1c2ccccc2C(C2CCCCC2)=C(c2ccccc2)[B-]1(c1ccccc1)c1ccccc1.Cc1ccc(C2=C(C3CCCCC3)c3ccccc3[O+](C)[B-]2(c2ccc(C)cc2)c2ccc(C)cc2)cc1.

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

The InChIKey is HWVRXVPZFSOFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H37BO.C36H39BO.C33H33BO.C25H22BN3O.C22H19BOS3/c1-34-44-20-12-13-21-45(44)48(2)47(42-30-26-39(27-31-42)36-16-8-4-9-17-36,43-32-28-40(29-33-43)37-18-10-5-11-19-37)46(34)41-24-22-38(23-25-41)35-14-6-3-7-15-35;1-26-14-20-30(21-15-26)36-35(29-10-6-5-7-11-29)33-12-8-9-13-34(33)38(4)37(36,31-22-16-27(2)17-23-31)32-24-18-28(3)19-25-32;1-35-31-25-15-14-24-30(31)32(26-16-6-2-7-17-26)33(27-18-8-3-9-19-27)34(35,28-20-10-4-11-21-28)29-22-12-5-13-23-29;1-19-20-11-3-4-13-22(20)30(2)26(23-14-6-9-17-28-23,24-15-7-10-18-29-24)25(19)21-12-5-8-16-27-21;1-16-17-8-3-4-9-18(17)24(2)23(20-11-6-14-26-20,21-12-7-15-27-21)22(16)19-10-5-13-25-19/h3-33H,1-2H3;8-9,12-25,29H,5-7,10-11H2,1-4H3;3-5,8-15,18-26H,2,6-7,16-17H2,1H3;3-18H,1-2H3;3-15H,1-2H3.

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

5-cyclohexyl-2-methyl-3,3,4-triphenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;5-cyclohexyl-2-methyl-3,3,4-tris(4-methylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-(2,5-dimethyl-3,3-dipyridin-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraen-4-yl)pyridine;2,5-dimethyl-3,3,4-tris(4-phenylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2,5-dimethyl-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 2369.26 g/mol, XLogP of 36.54, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclohexyl-2-methyl-3,3,4-triphenyl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;5-cyclohexyl-2-methyl-3,3,4-tris(4-methylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2-(2,5-dimethyl-3,3-dipyridin-2-yl-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraen-4-yl)pyridine;2,5-dimethyl-3,3,4-tris(4-phenylphenyl)-2-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;2,5-dimethyl-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 158611088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).