9-(4,6-diphenyl-2-pyridinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

C35H31BN2O2 — CID 139270302

About 9-(4,6-diphenyl-2-pyridinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

9-(4,6-diphenyl-2-pyridinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (PubChem CID 139270302) has the molecular formula C35H31BN2O2 and a molecular weight of 522.46 g/mol. Its IUPAC name is 9-(4,6-diphenyl-2-pyridinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.

Molecular Properties

• Compound Name: 9-(4,6-diphenyl-2-pyridinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
• PubChem CID: 139270302
• Molecular Formula: C35H31BN2O2
• Molecular Weight: 522.46 g/mol
• Exact Mass: 522.25
• IUPAC Name: 9-(4,6-diphenyl-2-pyridinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
• SMILES: CC1(C)OB(c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)OC1(C)C
• InChI: InChI=1S/C35H31BN2O2/c1-34(2)35(3,4)40-36(39-34)27-19-20-32-29(23-27)28-17-11-12-18-31(28)38(32)33-22-26(24-13-7-5-8-14-24)21-30(37-33)25-15-9-6-10-16-25/h5-23H,1-4H3
• InChIKey: JFAMALHKSAGQPG-UHFFFAOYSA-N
• XLogP: 7.81
• TPSA: 36.28 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.46
LogP ≤ 5	7.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenyl-2-pyridinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?

The IUPAC name of 9-(4,6-diphenyl-2-pyridinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (CID 139270302) is 9-(4,6-diphenyl-2-pyridinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.

What is the SMILES notation for 9-(4,6-diphenyl-2-pyridinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?

The canonical SMILES for 9-(4,6-diphenyl-2-pyridinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is CC1(C)OB(c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)OC1(C)C.

What is the InChIKey of 9-(4,6-diphenyl-2-pyridinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?

The InChIKey is JFAMALHKSAGQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31BN2O2/c1-34(2)35(3,4)40-36(39-34)27-19-20-32-29(23-27)28-17-11-12-18-31(28)38(32)33-22-26(24-13-7-5-8-14-24)21-30(37-33)25-15-9-6-10-16-25/h5-23H,1-4H3.

What are the key properties of 9-(4,6-diphenyl-2-pyridinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?

9-(4,6-diphenyl-2-pyridinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole has a molecular weight of 522.46 g/mol, XLogP of 7.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4,6-diphenyl-2-pyridinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is sourced from PubChem (CID 139270302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).