2-[3-[6-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(1,3,4,5,7,8-hexadeuterio-6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,2-dioxaborolane

C96H87B3O6 — CID 165090360

About 2-[3-[6-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(1,3,4,5,7,8-hexadeuterio-6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,2-dioxaborolane

2-[3-[6-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(1,3,4,5,7,8-hexadeuterio-6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,2-dioxaborolane (PubChem CID 165090360) has the molecular formula C96H87B3O6 and a molecular weight of 1382.26 g/mol. Its IUPAC name is 2-[3-[6-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(1,3,4,5,7,8-hexadeuterio-6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-[3-[6-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(1,3,4,5,7,8-hexadeuterio-6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,2-dioxaborolane
• PubChem CID: 165090360
• Molecular Formula: C96H87B3O6
• Molecular Weight: 1382.26 g/mol
• Exact Mass: 1381.76
• IUPAC Name: 2-[3-[6-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(1,3,4,5,7,8-hexadeuterio-6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(c2cccc(-c3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)c2)OC1(C)C.[2H]c1c(-c2ccc3ccccc3c2)c([2H])c2c([2H])c([2H])c(-c3cccc(B4OC(C)(C)C(C)(C)O4)c3)c([2H])c2c1[2H].[2H]c1c([2H])c([2H])c2c([2H])c(-c3ccc4cc(-c5cccc(B6OC(C)(C)C(C)(C)O6)c5)ccc4c3)c([2H])c([2H])c2c1[2H]
• InChI: InChI=1S/3C32H29BO2/c3*1-31(2)32(3,4)35-33(34-31)30-11-7-10-24(21-30)25-14-15-29-20-28(17-16-27(29)19-25)26-13-12-22-8-5-6-9-23(22)18-26/h3*5-21H,1-4H3/i5D,6D,8D,9D,12D,13D,18D;14D,15D,16D,17D,19D,20D
• InChIKey: WPCAREQXYSVUFV-GLTPZHTQSA-N
• XLogP: 22.88
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1382.26
LogP ≤ 5	22.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(1,3,4,5,7,8-hexadeuterio-6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,2-dioxaborolane?

The IUPAC name of 2-[3-[6-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(1,3,4,5,7,8-hexadeuterio-6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,2-dioxaborolane (CID 165090360) is 2-[3-[6-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(1,3,4,5,7,8-hexadeuterio-6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,2-dioxaborolane.

What is the SMILES notation for 2-[3-[6-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(1,3,4,5,7,8-hexadeuterio-6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,2-dioxaborolane?

The canonical SMILES for 2-[3-[6-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(1,3,4,5,7,8-hexadeuterio-6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,2-dioxaborolane is CC1(C)OB(c2cccc(-c3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)c2)OC1(C)C.[2H]c1c(-c2ccc3ccccc3c2)c([2H])c2c([2H])c([2H])c(-c3cccc(B4OC(C)(C)C(C)(C)O4)c3)c([2H])c2c1[2H].[2H]c1c([2H])c([2H])c2c([2H])c(-c3ccc4cc(-c5cccc(B6OC(C)(C)C(C)(C)O6)c5)ccc4c3)c([2H])c([2H])c2c1[2H].

What is the InChIKey of 2-[3-[6-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(1,3,4,5,7,8-hexadeuterio-6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,2-dioxaborolane?

The InChIKey is WPCAREQXYSVUFV-GLTPZHTQSA-N. The full InChI is InChI=1S/3C32H29BO2/c3*1-31(2)32(3,4)35-33(34-31)30-11-7-10-24(21-30)25-14-15-29-20-28(17-16-27(29)19-25)26-13-12-22-8-5-6-9-23(22)18-26/h3*5-21H,1-4H3/i5D,6D,8D,9D,12D,13D,18D;14D,15D,16D,17D,19D,20D;.

What are the key properties of 2-[3-[6-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(1,3,4,5,7,8-hexadeuterio-6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,2-dioxaborolane?

2-[3-[6-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(1,3,4,5,7,8-hexadeuterio-6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,2-dioxaborolane has a molecular weight of 1382.26 g/mol, XLogP of 22.88, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[6-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(1,3,4,5,7,8-hexadeuterio-6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 165090360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).