9-[4-(5,5-dimethylhexoxy)phenyl]-9-[4-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]butoxy]phenyl]fluorene

C66H66O4 — CID 134525030

About 9-[4-(5,5-dimethylhexoxy)phenyl]-9-[4-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]butoxy]phenyl]fluorene

9-[4-(5,5-dimethylhexoxy)phenyl]-9-[4-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]butoxy]phenyl]fluorene (PubChem CID 134525030) has the molecular formula C66H66O4 and a molecular weight of 923.25 g/mol. Its IUPAC name is 9-[4-(5,5-dimethylhexoxy)phenyl]-9-[4-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]butoxy]phenyl]fluorene.

Molecular Properties

• Compound Name: 9-[4-(5,5-dimethylhexoxy)phenyl]-9-[4-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]butoxy]phenyl]fluorene
• PubChem CID: 134525030
• Molecular Formula: C66H66O4
• Molecular Weight: 923.25 g/mol
• Exact Mass: 922.50
• IUPAC Name: 9-[4-(5,5-dimethylhexoxy)phenyl]-9-[4-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]butoxy]phenyl]fluorene
• SMILES: CC(C)(C)CCCCOc1ccc(C2(c3ccc(OCCCCOc4ccc(C5(c6ccc(OC(C)(C)C)cc6)c6ccccc6-c6ccccc65)cc4)cc3)c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C66H66O4/c1-63(2,3)43-15-16-44-67-51-35-27-47(28-36-51)65(59-23-11-7-19-55(59)56-20-8-12-24-60(56)65)48-29-37-52(38-30-48)68-45-17-18-46-69-53-39-31-49(32-40-53)66(50-33-41-54(42-34-50)70-64(4,5)6)61-25-13-9-21-57(61)58-22-10-14-26-62(58)66/h7-14,19-42H,15-18,43-46H2,1-6H3
• InChIKey: WYCWJWZNUFMQFD-UHFFFAOYSA-N
• XLogP: 16.42
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 17
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	923.25
LogP ≤ 5	16.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[4-(5,5-dimethylhexoxy)phenyl]-9-[4-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]butoxy]phenyl]fluorene?

The IUPAC name of 9-[4-(5,5-dimethylhexoxy)phenyl]-9-[4-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]butoxy]phenyl]fluorene (CID 134525030) is 9-[4-(5,5-dimethylhexoxy)phenyl]-9-[4-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]butoxy]phenyl]fluorene.

What is the SMILES notation for 9-[4-(5,5-dimethylhexoxy)phenyl]-9-[4-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]butoxy]phenyl]fluorene?

The canonical SMILES for 9-[4-(5,5-dimethylhexoxy)phenyl]-9-[4-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]butoxy]phenyl]fluorene is CC(C)(C)CCCCOc1ccc(C2(c3ccc(OCCCCOc4ccc(C5(c6ccc(OC(C)(C)C)cc6)c6ccccc6-c6ccccc65)cc4)cc3)c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of 9-[4-(5,5-dimethylhexoxy)phenyl]-9-[4-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]butoxy]phenyl]fluorene?

The InChIKey is WYCWJWZNUFMQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H66O4/c1-63(2,3)43-15-16-44-67-51-35-27-47(28-36-51)65(59-23-11-7-19-55(59)56-20-8-12-24-60(56)65)48-29-37-52(38-30-48)68-45-17-18-46-69-53-39-31-49(32-40-53)66(50-33-41-54(42-34-50)70-64(4,5)6)61-25-13-9-21-57(61)58-22-10-14-26-62(58)66/h7-14,19-42H,15-18,43-46H2,1-6H3.

What are the key properties of 9-[4-(5,5-dimethylhexoxy)phenyl]-9-[4-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]butoxy]phenyl]fluorene?

9-[4-(5,5-dimethylhexoxy)phenyl]-9-[4-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]butoxy]phenyl]fluorene has a molecular weight of 923.25 g/mol, XLogP of 16.42, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(5,5-dimethylhexoxy)phenyl]-9-[4-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]butoxy]phenyl]fluorene is sourced from PubChem (CID 134525030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).