10-[9,9-dimethyl-6-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)fluoren-2-yl]-9,9-diphenylacridine

C74H52BN — CID 164709050

About 10-[9,9-dimethyl-6-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)fluoren-2-yl]-9,9-diphenylacridine

10-[9,9-dimethyl-6-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)fluoren-2-yl]-9,9-diphenylacridine (PubChem CID 164709050) has the molecular formula C74H52BN and a molecular weight of 966.05 g/mol. Its IUPAC name is 10-[9,9-dimethyl-6-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)fluoren-2-yl]-9,9-diphenylacridine.

Molecular Properties

• Compound Name: 10-[9,9-dimethyl-6-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)fluoren-2-yl]-9,9-diphenylacridine
• PubChem CID: 164709050
• Molecular Formula: C74H52BN
• Molecular Weight: 966.05 g/mol
• Exact Mass: 965.42
• IUPAC Name: 10-[9,9-dimethyl-6-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)fluoren-2-yl]-9,9-diphenylacridine
• SMILES: CC1(C)c2ccc(B3c4c(-c5ccccc5)cccc4-c4c3c(-c3ccccc3)c3ccccc3c4-c3ccccc3)cc2-c2ccc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc21
• InChI: InChI=1S/C74H52BN/c1-73(2)62-46-43-54(47-61(62)57-45-44-55(48-65(57)73)76-66-41-22-20-39-63(66)74(52-31-14-6-15-32-52,53-33-16-7-17-34-53)64-40-21-23-42-67(64)76)75-71-56(49-25-8-3-9-26-49)37-24-38-60(71)70-68(50-27-10-4-11-28-50)58-35-18-19-36-59(58)69(72(70)75)51-29-12-5-13-30-51/h3-48H,1-2H3
• InChIKey: HUGRBOYDFUAXJE-UHFFFAOYSA-N
• XLogP: 16.81
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	966.05
LogP ≤ 5	16.81
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 10-[9,9-dimethyl-6-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)fluoren-2-yl]-9,9-diphenylacridine?

The IUPAC name of 10-[9,9-dimethyl-6-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)fluoren-2-yl]-9,9-diphenylacridine (CID 164709050) is 10-[9,9-dimethyl-6-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)fluoren-2-yl]-9,9-diphenylacridine.

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

The canonical SMILES for 10-[9,9-dimethyl-6-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)fluoren-2-yl]-9,9-diphenylacridine is CC1(C)c2ccc(B3c4c(-c5ccccc5)cccc4-c4c3c(-c3ccccc3)c3ccccc3c4-c3ccccc3)cc2-c2ccc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc21.

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

The InChIKey is HUGRBOYDFUAXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H52BN/c1-73(2)62-46-43-54(47-61(62)57-45-44-55(48-65(57)73)76-66-41-22-20-39-63(66)74(52-31-14-6-15-32-52,53-33-16-7-17-34-53)64-40-21-23-42-67(64)76)75-71-56(49-25-8-3-9-26-49)37-24-38-60(71)70-68(50-27-10-4-11-28-50)58-35-18-19-36-59(58)69(72(70)75)51-29-12-5-13-30-51/h3-48H,1-2H3.

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

10-[9,9-dimethyl-6-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)fluoren-2-yl]-9,9-diphenylacridine has a molecular weight of 966.05 g/mol, XLogP of 16.81, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[9,9-dimethyl-6-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)fluoren-2-yl]-9,9-diphenylacridine is sourced from PubChem (CID 164709050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).