5,12-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[3,2-c]carbazole

C36H31BN2O2 — CID 145320440

About 5,12-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[3,2-c]carbazole

5,12-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[3,2-c]carbazole (PubChem CID 145320440) has the molecular formula C36H31BN2O2 and a molecular weight of 534.47 g/mol. Its IUPAC name is 5,12-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5,12-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[3,2-c]carbazole
• PubChem CID: 145320440
• Molecular Formula: C36H31BN2O2
• Molecular Weight: 534.47 g/mol
• Exact Mass: 534.25
• IUPAC Name: 5,12-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[3,2-c]carbazole
• SMILES: CC1(C)OB(c2cc3c4ccccc4n(-c4ccccc4)c3c3c4ccccc4n(-c4ccccc4)c23)OC1(C)C
• InChI: InChI=1S/C36H31BN2O2/c1-35(2)36(3,4)41-37(40-35)29-23-28-26-19-11-13-21-30(26)38(24-15-7-5-8-16-24)33(28)32-27-20-12-14-22-31(27)39(34(29)32)25-17-9-6-10-18-25/h5-23H,1-4H3
• InChIKey: UZJHHLOLPRUIMR-UHFFFAOYSA-N
• XLogP: 8.18
• TPSA: 28.32 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.47
LogP ≤ 5	8.18
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 5,12-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[3,2-c]carbazole?

The IUPAC name of 5,12-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[3,2-c]carbazole (CID 145320440) is 5,12-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[3,2-c]carbazole.

What is the SMILES notation for 5,12-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[3,2-c]carbazole?

The canonical SMILES for 5,12-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[3,2-c]carbazole is CC1(C)OB(c2cc3c4ccccc4n(-c4ccccc4)c3c3c4ccccc4n(-c4ccccc4)c23)OC1(C)C.

What is the InChIKey of 5,12-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[3,2-c]carbazole?

The InChIKey is UZJHHLOLPRUIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31BN2O2/c1-35(2)36(3,4)41-37(40-35)29-23-28-26-19-11-13-21-30(26)38(24-15-7-5-8-16-24)33(28)32-27-20-12-14-22-31(27)39(34(29)32)25-17-9-6-10-18-25/h5-23H,1-4H3.

What are the key properties of 5,12-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[3,2-c]carbazole?

5,12-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[3,2-c]carbazole has a molecular weight of 534.47 g/mol, XLogP of 8.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5,12-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[3,2-c]carbazole is sourced from PubChem (CID 145320440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).