10-[8-(4,11-diphenylnaphtho[2,3-b][1]benzoborol-5-yl)dibenzothiophen-3-yl]-9,9-diphenylacridine

C65H42BNS — CID 164709053

About 10-[8-(4,11-diphenylnaphtho[2,3-b][1]benzoborol-5-yl)dibenzothiophen-3-yl]-9,9-diphenylacridine

10-[8-(4,11-diphenylnaphtho[2,3-b][1]benzoborol-5-yl)dibenzothiophen-3-yl]-9,9-diphenylacridine (PubChem CID 164709053) has the molecular formula C65H42BNS and a molecular weight of 879.94 g/mol. Its IUPAC name is 10-[8-(4,11-diphenylnaphtho[2,3-b][1]benzoborol-5-yl)dibenzothiophen-3-yl]-9,9-diphenylacridine.

Molecular Properties

• Compound Name: 10-[8-(4,11-diphenylnaphtho[2,3-b][1]benzoborol-5-yl)dibenzothiophen-3-yl]-9,9-diphenylacridine
• PubChem CID: 164709053
• Molecular Formula: C65H42BNS
• Molecular Weight: 879.94 g/mol
• Exact Mass: 879.31
• IUPAC Name: 10-[8-(4,11-diphenylnaphtho[2,3-b][1]benzoborol-5-yl)dibenzothiophen-3-yl]-9,9-diphenylacridine
• SMILES: c1ccc(-c2cccc3c2B(c2ccc4sc5cc(N6c7ccccc7C(c7ccccc7)(c7ccccc7)c7ccccc76)ccc5c4c2)c2cc4ccccc4c(-c4ccccc4)c2-3)cc1
• InChI: InChI=1S/C65H42BNS/c1-5-20-43(21-6-1)51-30-19-31-53-63-57(40-45-24-13-14-29-50(45)62(63)44-22-7-2-8-23-44)66(64(51)53)48-36-39-60-54(41-48)52-38-37-49(42-61(52)68-60)67-58-34-17-15-32-55(58)65(46-25-9-3-10-26-46,47-27-11-4-12-28-47)56-33-16-18-35-59(56)67/h1-42H
• InChIKey: VFPRJMNAYRSOEI-UHFFFAOYSA-N
• XLogP: 15.20
• TPSA: 3.24 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	879.94
LogP ≤ 5	15.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[8-(4,11-diphenylnaphtho[2,3-b][1]benzoborol-5-yl)dibenzothiophen-3-yl]-9,9-diphenylacridine?

The IUPAC name of 10-[8-(4,11-diphenylnaphtho[2,3-b][1]benzoborol-5-yl)dibenzothiophen-3-yl]-9,9-diphenylacridine (CID 164709053) is 10-[8-(4,11-diphenylnaphtho[2,3-b][1]benzoborol-5-yl)dibenzothiophen-3-yl]-9,9-diphenylacridine.

What is the SMILES notation for 10-[8-(4,11-diphenylnaphtho[2,3-b][1]benzoborol-5-yl)dibenzothiophen-3-yl]-9,9-diphenylacridine?

The canonical SMILES for 10-[8-(4,11-diphenylnaphtho[2,3-b][1]benzoborol-5-yl)dibenzothiophen-3-yl]-9,9-diphenylacridine is c1ccc(-c2cccc3c2B(c2ccc4sc5cc(N6c7ccccc7C(c7ccccc7)(c7ccccc7)c7ccccc76)ccc5c4c2)c2cc4ccccc4c(-c4ccccc4)c2-3)cc1.

What is the InChIKey of 10-[8-(4,11-diphenylnaphtho[2,3-b][1]benzoborol-5-yl)dibenzothiophen-3-yl]-9,9-diphenylacridine?

The InChIKey is VFPRJMNAYRSOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42BNS/c1-5-20-43(21-6-1)51-30-19-31-53-63-57(40-45-24-13-14-29-50(45)62(63)44-22-7-2-8-23-44)66(64(51)53)48-36-39-60-54(41-48)52-38-37-49(42-61(52)68-60)67-58-34-17-15-32-55(58)65(46-25-9-3-10-26-46,47-27-11-4-12-28-47)56-33-16-18-35-59(56)67/h1-42H.

What are the key properties of 10-[8-(4,11-diphenylnaphtho[2,3-b][1]benzoborol-5-yl)dibenzothiophen-3-yl]-9,9-diphenylacridine?

10-[8-(4,11-diphenylnaphtho[2,3-b][1]benzoborol-5-yl)dibenzothiophen-3-yl]-9,9-diphenylacridine has a molecular weight of 879.94 g/mol, XLogP of 15.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[8-(4,11-diphenylnaphtho[2,3-b][1]benzoborol-5-yl)dibenzothiophen-3-yl]-9,9-diphenylacridine is sourced from PubChem (CID 164709053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).