9-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole

• CAS: 1217891-71-8
• Catalog Number: ACM1217891718
• Category: Organic & Printed Electronics
• Molecular Weight: 307.2g/mol
• Molecular Formula: C19H22BNO2
• Synonyms: 9-Methyl-3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole;N-Methylcarbazole-3-boronic acid pinacol ester;9-Methyl-9H-carbazole-3-boronic acid pinacol ester
• IUPAC Name: 9-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(C4=CC=CC=C43)C
• InChI: InChI=1S/C19H22BNO2/c1-18(2)19(3,4)23-20(22-18)13-10-11-17-15(12-13)14-8-6-7-9-16(14)21(17)5/h6-12H,1-5H3
• InChI Key: AVCKYKVGQYBADD-UHFFFAOYSA-N
• Complexity: 450
• Covalently-Bonded Unit Count: 1
• Exact Mass: 307.174359g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 23
• Monoisotopic Mass: 307.174359g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of the compound with PubChem CID 56924967?

The molecular formula is C19H22BNO2.

When was the compound first created and last modified in PubChem?

The compound was created on 2012-04-02 and last modified on 2023-12-02.

What is the IUPAC name of the compound?

The IUPAC name is 9-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.

What is the InChIKey of the compound?

The InChIKey is AVCKYKVGQYBADD-UHFFFAOYSA-N.

How many hydrogen bond acceptors does the compound have?

The compound has 2 hydrogen bond acceptors.

What is the topological polar surface area of the compound?

The topological polar surface area is 23.4Ų.

How many heavy atoms are present in the compound?

There are 23 heavy atoms in the compound.

Does the compound have any defined atom stereocenters?

No, the compound does not have any defined atom stereocenters.

What is the complexity of the compound?

The complexity of the compound is 450.

Is the compound canonicalized in PubChem?

Yes, the compound is canonicalized in PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 1484-12-4
• 76-09-5

• 1217891-71-8

Reference: [1]Current Patent Assignee: UNIVERSITY OF MANCHESTER - WO2012/25760, 2012, A1
Location in patent: Page/Page column 58

Upstream Synthesis Route 2

• 91828-08-9
• 61676-62-8

• 1217891-71-8

Reference: [1]Patent: CN107954921,2018,A .Location in patent: Paragraph 0059-0061