2-[6-(7,8-dihydrotriphenylen-2-yl)naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C34H31BO2 — CID 149245340

About 2-[6-(7,8-dihydrotriphenylen-2-yl)naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[6-(7,8-dihydrotriphenylen-2-yl)naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 149245340) has the molecular formula C34H31BO2 and a molecular weight of 482.43 g/mol. Its IUPAC name is 2-[6-(7,8-dihydrotriphenylen-2-yl)naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-[6-(7,8-dihydrotriphenylen-2-yl)naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 149245340
• Molecular Formula: C34H31BO2
• Molecular Weight: 482.43 g/mol
• Exact Mass: 482.24
• IUPAC Name: 2-[6-(7,8-dihydrotriphenylen-2-yl)naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(c2ccc3cc(-c4ccc5c6c(c7ccccc7c5c4)CCC=C6)ccc3c2)OC1(C)C
• InChI: InChI=1S/C34H31BO2/c1-33(2)34(3,4)37-35(36-33)26-17-15-23-19-22(13-14-24(23)20-26)25-16-18-31-29-11-6-5-9-27(29)28-10-7-8-12-30(28)32(31)21-25/h6-8,10-21H,5,9H2,1-4H3
• InChIKey: XMZLJVCZOZBDHJ-UHFFFAOYSA-N
• XLogP: 8.07
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.43
LogP ≤ 5	8.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[6-(7,8-dihydrotriphenylen-2-yl)naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 149245340) is 2-[6-(7,8-dihydrotriphenylen-2-yl)naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

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

The canonical SMILES for 2-[6-(7,8-dihydrotriphenylen-2-yl)naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(c2ccc3cc(-c4ccc5c6c(c7ccccc7c5c4)CCC=C6)ccc3c2)OC1(C)C.

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

The InChIKey is XMZLJVCZOZBDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31BO2/c1-33(2)34(3,4)37-35(36-33)26-17-15-23-19-22(13-14-24(23)20-26)25-16-18-31-29-11-6-5-9-27(29)28-10-7-8-12-30(28)32(31)21-25/h6-8,10-21H,5,9H2,1-4H3.

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

2-[6-(7,8-dihydrotriphenylen-2-yl)naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 482.43 g/mol, XLogP of 8.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(7,8-dihydrotriphenylen-2-yl)naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 149245340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).