boranuide;methane;2-(4-methylphenyl)naphthalene;(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)boronic acid;1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene

C82H65B2O2- — CID 159009457

About boranuide;methane;2-(4-methylphenyl)naphthalene;(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)boronic acid;1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene

boranuide;methane;2-(4-methylphenyl)naphthalene;(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)boronic acid;1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene (PubChem CID 159009457) has the molecular formula C82H65B2O2- and a molecular weight of 1120.14 g/mol. Its IUPAC name is boranuide;methane;2-(4-methylphenyl)naphthalene;(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)boronic acid;1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene.

Molecular Properties

• Compound Name: boranuide;methane;2-(4-methylphenyl)naphthalene;(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)boronic acid;1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene
• PubChem CID: 159009457
• Molecular Formula: C82H65B2O2-
• Molecular Weight: 1120.14 g/mol
• Exact Mass: 1119.62
• IUPAC Name: boranuide;methane;2-(4-methylphenyl)naphthalene;(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)boronic acid;1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene
• SMILES: C.Cc1ccc(-c2ccc3ccccc3c2)cc1.[2H]c1c([2H])c([2H])c2c(-c3cccc4ccccc34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3cccc4ccccc34)c3c([2H])c([2H])c([2H])c([2H])c3c(B(O)O)c2c1[2H].[BH4-]
• InChI: InChI=1S/C40H26.C24H17BO2.C17H14.CH4.BH4/c1-2-12-31-26-32(25-22-27(31)10-1)28-20-23-30(24-21-28)39-35-15-5-7-17-37(35)40(38-18-8-6-16-36(38)39)34-19-9-13-29-11-3-4-14-33(29)34;26-25(27)24-21-13-5-3-11-19(21)23(20-12-4-6-14-22(20)24)18-15-7-9-16-8-1-2-10-17(16)18;1-13-6-8-15(9-7-13)17-11-10-14-4-2-3-5-16(14)12-17;;/h1-26H;1-15,26-27H;2-12H,1H3;2*1H4/q;;;;-1/i5D,6D,7D,8D,15D,16D,17D,18D;3D,4D,5D,6D,11D,12D,13D,14D
• InChIKey: JSICRPSCADLUTH-AKLCIQEJSA-N
• XLogP: 19.79
• TPSA: 40.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1120.14
LogP ≤ 5	19.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of boranuide;methane;2-(4-methylphenyl)naphthalene;(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)boronic acid;1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene?

The IUPAC name of boranuide;methane;2-(4-methylphenyl)naphthalene;(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)boronic acid;1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene (CID 159009457) is boranuide;methane;2-(4-methylphenyl)naphthalene;(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)boronic acid;1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene.

What is the SMILES notation for boranuide;methane;2-(4-methylphenyl)naphthalene;(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)boronic acid;1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene?

The canonical SMILES for boranuide;methane;2-(4-methylphenyl)naphthalene;(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)boronic acid;1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene is C.Cc1ccc(-c2ccc3ccccc3c2)cc1.[2H]c1c([2H])c([2H])c2c(-c3cccc4ccccc34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3cccc4ccccc34)c3c([2H])c([2H])c([2H])c([2H])c3c(B(O)O)c2c1[2H].[BH4-].

What is the InChIKey of boranuide;methane;2-(4-methylphenyl)naphthalene;(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)boronic acid;1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene?

The InChIKey is JSICRPSCADLUTH-AKLCIQEJSA-N. The full InChI is InChI=1S/C40H26.C24H17BO2.C17H14.CH4.BH4/c1-2-12-31-26-32(25-22-27(31)10-1)28-20-23-30(24-21-28)39-35-15-5-7-17-37(35)40(38-18-8-6-16-36(38)39)34-19-9-13-29-11-3-4-14-33(29)34;26-25(27)24-21-13-5-3-11-19(21)23(20-12-4-6-14-22(20)24)18-15-7-9-16-8-1-2-10-17(16)18;1-13-6-8-15(9-7-13)17-11-10-14-4-2-3-5-16(14)12-17;;/h1-26H;1-15,26-27H;2-12H,1H3;2*1H4/q;;;;-1/i5D,6D,7D,8D,15D,16D,17D,18D;3D,4D,5D,6D,11D,12D,13D,14D;;;.

What are the key properties of boranuide;methane;2-(4-methylphenyl)naphthalene;(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)boronic acid;1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene?

boranuide;methane;2-(4-methylphenyl)naphthalene;(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)boronic acid;1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene has a molecular weight of 1120.14 g/mol, XLogP of 19.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for boranuide;methane;2-(4-methylphenyl)naphthalene;(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)boronic acid;1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene is sourced from PubChem (CID 159009457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).