9,9-diphenyl-10-[4-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)phenyl]acridine

C65H44BN — CID 164709007

About 9,9-diphenyl-10-[4-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)phenyl]acridine

9,9-diphenyl-10-[4-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)phenyl]acridine (PubChem CID 164709007) has the molecular formula C65H44BN and a molecular weight of 849.89 g/mol. Its IUPAC name is 9,9-diphenyl-10-[4-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)phenyl]acridine.

Molecular Properties

• Compound Name: 9,9-diphenyl-10-[4-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)phenyl]acridine
• PubChem CID: 164709007
• Molecular Formula: C65H44BN
• Molecular Weight: 849.89 g/mol
• Exact Mass: 849.36
• IUPAC Name: 9,9-diphenyl-10-[4-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)phenyl]acridine
• SMILES: c1ccc(-c2cccc3c2B(c2ccc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)cc2)c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1
• InChI: InChI=1S/C65H44BN/c1-6-23-45(24-7-1)52-35-22-36-55-62-60(46-25-8-2-9-26-46)53-33-16-17-34-54(53)61(47-27-10-3-11-28-47)64(62)66(63(52)55)50-41-43-51(44-42-50)67-58-39-20-18-37-56(58)65(48-29-12-4-13-30-48,49-31-14-5-15-32-49)57-38-19-21-40-59(57)67/h1-44H
• InChIKey: VVMBTQXLQYTLCW-UHFFFAOYSA-N
• XLogP: 14.50
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	849.89
LogP ≤ 5	14.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-10-[4-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)phenyl]acridine?

The IUPAC name of 9,9-diphenyl-10-[4-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)phenyl]acridine (CID 164709007) is 9,9-diphenyl-10-[4-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)phenyl]acridine.

What is the SMILES notation for 9,9-diphenyl-10-[4-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)phenyl]acridine?

The canonical SMILES for 9,9-diphenyl-10-[4-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)phenyl]acridine is c1ccc(-c2cccc3c2B(c2ccc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)cc2)c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1.

What is the InChIKey of 9,9-diphenyl-10-[4-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)phenyl]acridine?

The InChIKey is VVMBTQXLQYTLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44BN/c1-6-23-45(24-7-1)52-35-22-36-55-62-60(46-25-8-2-9-26-46)53-33-16-17-34-54(53)61(47-27-10-3-11-28-47)64(62)66(63(52)55)50-41-43-51(44-42-50)67-58-39-20-18-37-56(58)65(48-29-12-4-13-30-48,49-31-14-5-15-32-49)57-38-19-21-40-59(57)67/h1-44H.

What are the key properties of 9,9-diphenyl-10-[4-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)phenyl]acridine?

9,9-diphenyl-10-[4-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)phenyl]acridine has a molecular weight of 849.89 g/mol, XLogP of 14.50, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-diphenyl-10-[4-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)phenyl]acridine is sourced from PubChem (CID 164709007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).