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

C71H48BN — CID 164709071

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

9,9-diphenyl-10-[4-[4-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)phenyl]phenyl]acridine (PubChem CID 164709071) has the molecular formula C71H48BN and a molecular weight of 925.98 g/mol. Its IUPAC name is 9,9-diphenyl-10-[4-[4-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)phenyl]phenyl]acridine.

Molecular Properties

• Compound Name: 9,9-diphenyl-10-[4-[4-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)phenyl]phenyl]acridine
• PubChem CID: 164709071
• Molecular Formula: C71H48BN
• Molecular Weight: 925.98 g/mol
• Exact Mass: 925.39
• IUPAC Name: 9,9-diphenyl-10-[4-[4-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)phenyl]phenyl]acridine
• SMILES: c1ccc(-c2cccc3c2B(c2ccc(-c4ccc(N5c6ccccc6C(c6ccccc6)(c6ccccc6)c6ccccc65)cc4)cc2)c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1
• InChI: InChI=1S/C71H48BN/c1-6-23-51(24-7-1)58-35-22-36-61-68-66(52-25-8-2-9-26-52)59-33-16-17-34-60(59)67(53-27-10-3-11-28-53)70(68)72(69(58)61)56-45-41-49(42-46-56)50-43-47-57(48-44-50)73-64-39-20-18-37-62(64)71(54-29-12-4-13-30-54,55-31-14-5-15-32-55)63-38-19-21-40-65(63)73/h1-48H
• InChIKey: ZENRZMGXAKYKRJ-UHFFFAOYSA-N
• XLogP: 16.17
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	925.98
LogP ≤ 5	16.17
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-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)phenyl]phenyl]acridine?

The IUPAC name of 9,9-diphenyl-10-[4-[4-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)phenyl]phenyl]acridine (CID 164709071) is 9,9-diphenyl-10-[4-[4-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)phenyl]phenyl]acridine.

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

The canonical SMILES for 9,9-diphenyl-10-[4-[4-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)phenyl]phenyl]acridine is c1ccc(-c2cccc3c2B(c2ccc(-c4ccc(N5c6ccccc6C(c6ccccc6)(c6ccccc6)c6ccccc65)cc4)cc2)c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1.

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

The InChIKey is ZENRZMGXAKYKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H48BN/c1-6-23-51(24-7-1)58-35-22-36-61-68-66(52-25-8-2-9-26-52)59-33-16-17-34-60(59)67(53-27-10-3-11-28-53)70(68)72(69(58)61)56-45-41-49(42-46-56)50-43-47-57(48-44-50)73-64-39-20-18-37-62(64)71(54-29-12-4-13-30-54,55-31-14-5-15-32-55)63-38-19-21-40-65(63)73/h1-48H.

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

9,9-diphenyl-10-[4-[4-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)phenyl]phenyl]acridine has a molecular weight of 925.98 g/mol, XLogP of 16.17, 8 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-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)phenyl]phenyl]acridine is sourced from PubChem (CID 164709071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).