4-[9-[3-[4-[3-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol

C54H42O4 — CID 118667876

IUPAC4-[9-[3-[4-[3-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol
SMILESOc1ccc(C2(c3cccc(OCCCCOc4cccc(C5(c6ccc(O)cc6)c6ccccc6-c6ccccc65)c4)c3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C54H42O4/c55-41-29-25-37(26-30-41)53(49-21-5-1-17-45(49)46-18-2-6-22-50(46)53)39-13-11-15-43(35-39)57-33-9-10-34-58-44-16-12-14-40(36-44)54(38-27-31-42(56)32-28-38)51-23-7-3-19-47(51)48-20-4-8-24-52(48)54/h1-8,11-32,35-36,55-56H,9-10,33-34H2
InChIKeyANHQLUFVFLQHQR-UHFFFAOYSA-N
MW754.93 g/mol
LogP12.06
Rot. Bonds11

About 4-[9-[3-[4-[3-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol

4-[9-[3-[4-[3-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol (PubChem CID 118667876) has the molecular formula C54H42O4 and a molecular weight of 754.93 g/mol. Its IUPAC name is 4-[9-[3-[4-[3-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol.

Molecular Properties

Compound Name4-[9-[3-[4-[3-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol
PubChem CID118667876
Molecular FormulaC54H42O4
Molecular Weight754.93 g/mol
Exact Mass754.31
IUPAC Name4-[9-[3-[4-[3-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol
SMILESOc1ccc(C2(c3cccc(OCCCCOc4cccc(C5(c6ccc(O)cc6)c6ccccc6-c6ccccc65)c4)c3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C54H42O4/c55-41-29-25-37(26-30-41)53(49-21-5-1-17-45(49)46-18-2-6-22-50(46)53)39-13-11-15-43(35-39)57-33-9-10-34-58-44-16-12-14-40(36-44)54(38-27-31-42(56)32-28-38)51-23-7-3-19-47(51)48-20-4-8-24-52(48)54/h1-8,11-32,35-36,55-56H,9-10,33-34H2
InChIKeyANHQLUFVFLQHQR-UHFFFAOYSA-N
XLogP12.06
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.93
LogP ≤ 512.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[9-[3-[4-[3-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[9-[3-[4-[3-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol?
The IUPAC name of 4-[9-[3-[4-[3-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol (CID 118667876) is 4-[9-[3-[4-[3-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol.
What is the SMILES notation for 4-[9-[3-[4-[3-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol?
The canonical SMILES for 4-[9-[3-[4-[3-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol is Oc1ccc(C2(c3cccc(OCCCCOc4cccc(C5(c6ccc(O)cc6)c6ccccc6-c6ccccc65)c4)c3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 4-[9-[3-[4-[3-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol?
The InChIKey is ANHQLUFVFLQHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42O4/c55-41-29-25-37(26-30-41)53(49-21-5-1-17-45(49)46-18-2-6-22-50(46)53)39-13-11-15-43(35-39)57-33-9-10-34-58-44-16-12-14-40(36-44)54(38-27-31-42(56)32-28-38)51-23-7-3-19-47(51)48-20-4-8-24-52(48)54/h1-8,11-32,35-36,55-56H,9-10,33-34H2.
What are the key properties of 4-[9-[3-[4-[3-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol?
4-[9-[3-[4-[3-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol has a molecular weight of 754.93 g/mol, XLogP of 12.06, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[3-[4-[3-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol is sourced from PubChem (CID 118667876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).