2-[3-(2,5-diphenylphenyl)-5-[3-[2-(3-methylphenyl)phenyl]phenyl]phenyl]-7-methyl-9,9-dioctylfluorene

C73H74 — CID 123179405

About 2-[3-(2,5-diphenylphenyl)-5-[3-[2-(3-methylphenyl)phenyl]phenyl]phenyl]-7-methyl-9,9-dioctylfluorene

2-[3-(2,5-diphenylphenyl)-5-[3-[2-(3-methylphenyl)phenyl]phenyl]phenyl]-7-methyl-9,9-dioctylfluorene (PubChem CID 123179405) has the molecular formula C73H74 and a molecular weight of 951.40 g/mol. Its IUPAC name is 2-[3-(2,5-diphenylphenyl)-5-[3-[2-(3-methylphenyl)phenyl]phenyl]phenyl]-7-methyl-9,9-dioctylfluorene.

Molecular Properties

• Compound Name: 2-[3-(2,5-diphenylphenyl)-5-[3-[2-(3-methylphenyl)phenyl]phenyl]phenyl]-7-methyl-9,9-dioctylfluorene
• PubChem CID: 123179405
• Molecular Formula: C73H74
• Molecular Weight: 951.40 g/mol
• Exact Mass: 950.58
• IUPAC Name: 2-[3-(2,5-diphenylphenyl)-5-[3-[2-(3-methylphenyl)phenyl]phenyl]phenyl]-7-methyl-9,9-dioctylfluorene
• SMILES: CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4cccc(-c5ccccc5-c5cccc(C)c5)c4)cc(-c4cc(-c5ccccc5)ccc4-c4ccccc4)c3)cc21
• InChI: InChI=1S/C73H74/c1-5-7-9-11-13-23-43-73(44-24-14-12-10-8-6-2)71-46-54(4)37-40-68(71)69-42-39-59(52-72(69)73)63-48-62(57-32-26-34-61(47-57)66-36-22-21-35-65(66)60-33-25-27-53(3)45-60)49-64(50-63)70-51-58(55-28-17-15-18-29-55)38-41-67(70)56-30-19-16-20-31-56/h15-22,25-42,45-52H,5-14,23-24,43-44H2,1-4H3
• InChIKey: YQOPJAQZFOIKIU-UHFFFAOYSA-N
• XLogP: 21.74
• TPSA: 0.00 Ų
• Rotatable Bonds: 21
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	951.40
LogP ≤ 5	21.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-diphenylphenyl)-5-[3-[2-(3-methylphenyl)phenyl]phenyl]phenyl]-7-methyl-9,9-dioctylfluorene?

The IUPAC name of 2-[3-(2,5-diphenylphenyl)-5-[3-[2-(3-methylphenyl)phenyl]phenyl]phenyl]-7-methyl-9,9-dioctylfluorene (CID 123179405) is 2-[3-(2,5-diphenylphenyl)-5-[3-[2-(3-methylphenyl)phenyl]phenyl]phenyl]-7-methyl-9,9-dioctylfluorene.

What is the SMILES notation for 2-[3-(2,5-diphenylphenyl)-5-[3-[2-(3-methylphenyl)phenyl]phenyl]phenyl]-7-methyl-9,9-dioctylfluorene?

The canonical SMILES for 2-[3-(2,5-diphenylphenyl)-5-[3-[2-(3-methylphenyl)phenyl]phenyl]phenyl]-7-methyl-9,9-dioctylfluorene is CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4cccc(-c5ccccc5-c5cccc(C)c5)c4)cc(-c4cc(-c5ccccc5)ccc4-c4ccccc4)c3)cc21.

What is the InChIKey of 2-[3-(2,5-diphenylphenyl)-5-[3-[2-(3-methylphenyl)phenyl]phenyl]phenyl]-7-methyl-9,9-dioctylfluorene?

The InChIKey is YQOPJAQZFOIKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H74/c1-5-7-9-11-13-23-43-73(44-24-14-12-10-8-6-2)71-46-54(4)37-40-68(71)69-42-39-59(52-72(69)73)63-48-62(57-32-26-34-61(47-57)66-36-22-21-35-65(66)60-33-25-27-53(3)45-60)49-64(50-63)70-51-58(55-28-17-15-18-29-55)38-41-67(70)56-30-19-16-20-31-56/h15-22,25-42,45-52H,5-14,23-24,43-44H2,1-4H3.

What are the key properties of 2-[3-(2,5-diphenylphenyl)-5-[3-[2-(3-methylphenyl)phenyl]phenyl]phenyl]-7-methyl-9,9-dioctylfluorene?

2-[3-(2,5-diphenylphenyl)-5-[3-[2-(3-methylphenyl)phenyl]phenyl]phenyl]-7-methyl-9,9-dioctylfluorene has a molecular weight of 951.40 g/mol, XLogP of 21.74, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(2,5-diphenylphenyl)-5-[3-[2-(3-methylphenyl)phenyl]phenyl]phenyl]-7-methyl-9,9-dioctylfluorene is sourced from PubChem (CID 123179405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).