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

C42H36BNO2 — CID 155600006

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

1,3-diphenyl-9-(3-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (PubChem CID 155600006) has the molecular formula C42H36BNO2 and a molecular weight of 597.57 g/mol. Its IUPAC name is 1,3-diphenyl-9-(3-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.

Molecular Properties

• Compound Name: 1,3-diphenyl-9-(3-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
• PubChem CID: 155600006
• Molecular Formula: C42H36BNO2
• Molecular Weight: 597.57 g/mol
• Exact Mass: 597.28
• IUPAC Name: 1,3-diphenyl-9-(3-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
• SMILES: CC1(C)OB(c2ccc3c(c2)c2cc(-c4ccccc4)cc(-c4ccccc4)c2n3-c2cccc(-c3ccccc3)c2)OC1(C)C
• InChI: InChI=1S/C42H36BNO2/c1-41(2)42(3,4)46-43(45-41)34-23-24-39-37(28-34)38-27-33(30-17-10-6-11-18-30)26-36(31-19-12-7-13-20-31)40(38)44(39)35-22-14-21-32(25-35)29-15-8-5-9-16-29/h5-28H,1-4H3
• InChIKey: RMPGHUWTROGIQZ-UHFFFAOYSA-N
• XLogP: 10.08
• TPSA: 23.39 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.57
LogP ≤ 5	10.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1,3-diphenyl-9-(3-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (CID 155600006) is 1,3-diphenyl-9-(3-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.

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

The canonical SMILES for 1,3-diphenyl-9-(3-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is CC1(C)OB(c2ccc3c(c2)c2cc(-c4ccccc4)cc(-c4ccccc4)c2n3-c2cccc(-c3ccccc3)c2)OC1(C)C.

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

The InChIKey is RMPGHUWTROGIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36BNO2/c1-41(2)42(3,4)46-43(45-41)34-23-24-39-37(28-34)38-27-33(30-17-10-6-11-18-30)26-36(31-19-12-7-13-20-31)40(38)44(39)35-22-14-21-32(25-35)29-15-8-5-9-16-29/h5-28H,1-4H3.

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

1,3-diphenyl-9-(3-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole has a molecular weight of 597.57 g/mol, XLogP of 10.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-diphenyl-9-(3-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is sourced from PubChem (CID 155600006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).