3TPYMB

• CAS: 929203-02-1
• Catalog Number: ACM929203021-1
• Category: Organic Light Emitting Diode (OLED)
• Molecular Weight: 599.61 g/mol
• Molecular Formula: C42H42BN3
• Description: Electron transport and hole blocking material in organic light emitting diodes (OLED).
• Synonyms: Tris(246-trimethyl-3-(pyridin-3-yl)phenyl)borane
• IUPAC Name: tris(2,4,6-trimethyl-3-pyridin-3-ylphenyl)borane
• Canonical SMILES: B(C1=C(C(=C(C=C1C)C)C2=CN=CC=C2)C)(C3=C(C(=C(C=C3C)C)C4=CN=CC=C4)C)C5=C(C(=C(C=C5C)C)C6=CN=CC=C6)C
• InChI: InChI=1S/C42H42BN3/c1-25-19-28(4)40(31(7)37(25)34-13-10-16-44-22-34)43(41-29(5)20-26(2)38(32(41)8)35-14-11-17-45-23-35)42-30(6)21-27(3)39(33(42)9)36-15-12-18-46-24-36/h10-24H,1-9H3
• InChI Key: RFDGVZHLJCKEPT-UHFFFAOYSA-N
• Solubility: Toluene, Chloroform
• Storage: room temp
• Complexity: 838
• Covalently-Bonded Unit Count: 1
• Exact Mass: 599.347179g/mol
• Formal Charge: 0
• Grade: Sublimed >99% / Unsublimed >98%
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 46
• MDL Number: MFCD28388220
• Monoisotopic Mass: 599.347179g/mol
• PL Peak: 382 nm (in THF)
• Rotatable Bond Count: 6
• TGA: >230 ℃ (0.5% weight loss)
• UV Peak: 331 nm (in THF)

Custom Q&A

What is the molecular formula of 3TPYMB?

The molecular formula of 3TPYMB is C42H42BN3.

What is the molecular weight of 3TPYMB?

The molecular weight of 3TPYMB is 599.6 g/mol.

When was 3TPYMB created?

3TPYMB was created on October 30, 2011.

When was 3TPYMB last modified?

3TPYMB was last modified on December 30, 2023.

What is the IUPAC name of 3TPYMB?

The IUPAC name of 3TPYMB is tris(2,4,6-trimethyl-3-pyridin-3-ylphenyl)borane.

What is the InChI key of 3TPYMB?

The InChI key of 3TPYMB is RFDGVZHLJCKEPT-UHFFFAOYSA-N.

What is the canonical SMILES of 3TPYMB?

The canonical SMILES of 3TPYMB is B(C1=C(C(=C(C=C1C)C)C2=CN=CC=C2)C)(C3=C(C(=C(C=C3C)C)C4=CN=CC=C4)C)C5=C(C(=C(C=C5C)C)C6=CN=CC=C6)C.

How many hydrogen bond donor counts are there in 3TPYMB?

There are 0 hydrogen bond donor counts in 3TPYMB.

How many hydrogen bond acceptor counts are there in 3TPYMB?

There are 3 hydrogen bond acceptor counts in 3TPYMB.

How many rotatable bond counts are there in 3TPYMB?

There are 6 rotatable bond counts in 3TPYMB.

Synthetic Use

Upstream Synthesis Route 1

• 929203-00-9
• 329214-79-1

• 929203-02-1

Reference: [1]Tanaka, Daisaku; Takeda, Takashi; Chiba, Takayuki; Watanabe, Soichi; Kido, Junji
[Chemistry Letters, 2007, vol. 36, # 2, p. 262 - 263]
[2]Tanaka, Daisaku; Takeda, Takashi; Chiba, Takayuki; Watanabe, Soichi; Kido, Junji
[Chemistry Letters, 2007, vol. 36, # 2, p. 262 - 263]