[4-[4-[[9-[[4-[4-(4-hydroxybenzoyl)oxyphenyl]phenyl]methyl]fluoren-9-yl]methyl]phenyl]phenyl] 4-hydroxybenzoate

C53H38O6 — CID 89317198

IUPAC[4-[4-[[9-[[4-[4-(4-hydroxybenzoyl)oxyphenyl]phenyl]methyl]fluoren-9-yl]methyl]phenyl]phenyl] 4-hydroxybenzoate
SMILESO=C(Oc1ccc(-c2ccc(CC3(Cc4ccc(-c5ccc(OC(=O)c6ccc(O)cc6)cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1)c1ccc(O)cc1
InChIInChI=1S/C53H38O6/c54-43-25-17-41(18-26-43)51(56)58-45-29-21-39(22-30-45)37-13-9-35(10-14-37)33-53(49-7-3-1-5-47(49)48-6-2-4-8-50(48)53)34-36-11-15-38(16-12-36)40-23-31-46(32-24-40)59-52(57)42-19-27-44(55)28-20-42/h1-32,54-55H,33-34H2
InChIKeyQARDVFLWAJDRER-UHFFFAOYSA-N
MW770.88 g/mol
LogP11.62
Rot. Bonds10

About [4-[4-[[9-[[4-[4-(4-hydroxybenzoyl)oxyphenyl]phenyl]methyl]fluoren-9-yl]methyl]phenyl]phenyl] 4-hydroxybenzoate

[4-[4-[[9-[[4-[4-(4-hydroxybenzoyl)oxyphenyl]phenyl]methyl]fluoren-9-yl]methyl]phenyl]phenyl] 4-hydroxybenzoate (PubChem CID 89317198) has the molecular formula C53H38O6 and a molecular weight of 770.88 g/mol. Its IUPAC name is [4-[4-[[9-[[4-[4-(4-hydroxybenzoyl)oxyphenyl]phenyl]methyl]fluoren-9-yl]methyl]phenyl]phenyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[4-[4-[[9-[[4-[4-(4-hydroxybenzoyl)oxyphenyl]phenyl]methyl]fluoren-9-yl]methyl]phenyl]phenyl] 4-hydroxybenzoate
PubChem CID89317198
Molecular FormulaC53H38O6
Molecular Weight770.88 g/mol
Exact Mass770.27
IUPAC Name[4-[4-[[9-[[4-[4-(4-hydroxybenzoyl)oxyphenyl]phenyl]methyl]fluoren-9-yl]methyl]phenyl]phenyl] 4-hydroxybenzoate
SMILESO=C(Oc1ccc(-c2ccc(CC3(Cc4ccc(-c5ccc(OC(=O)c6ccc(O)cc6)cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1)c1ccc(O)cc1
InChIInChI=1S/C53H38O6/c54-43-25-17-41(18-26-43)51(56)58-45-29-21-39(22-30-45)37-13-9-35(10-14-37)33-53(49-7-3-1-5-47(49)48-6-2-4-8-50(48)53)34-36-11-15-38(16-12-36)40-23-31-46(32-24-40)59-52(57)42-19-27-44(55)28-20-42/h1-32,54-55H,33-34H2
InChIKeyQARDVFLWAJDRER-UHFFFAOYSA-N
XLogP11.62
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.88
LogP ≤ 511.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-[4-[[9-[[4-[4-(4-hydroxybenzoyl)oxyphenyl]phenyl]methyl]fluoren-9-yl]methyl]phenyl]phenyl] 4-hydroxybenzoate with MolForge

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

Launch Full Analysis

Related Compounds

[4-[4-[[9-[[4-[4-(4-methoxybenzoyl)oxyphenyl]phenyl]methyl]fluoren-9-yl]methyl]phenyl]phenyl] 4-methoxybenzoate
CID 149213964
4-(4-carboxyphenoxy)carbonylbenzoic acid;4-(4-hydroxyphenyl)phenol
CID 69279827
[4-(4-acetyloxyphenyl)phenyl] 4-hydroxybenzoate
CID 143452404
(4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate
CID 154936541
(4-aminophenyl) 4-(4-hydroxyphenyl)benzoate
CID 54018499
(4-phenylmethoxycarbonylphenyl) 4-phenylbenzoate
CID 19181931
(4-phenylphenyl) 4-but-3-enylbenzoate
CID 19972225
[4-[4-(4-hydroxybenzoyl)oxybenzoyl]phenyl] 4-hydroxybenzoate
CID 121312948
but-3-en-2-yl 2-[4-[4-(4-hydroxybenzoyl)oxyphenyl]phenyl]benzoate
CID 67700416
4-[[4-[4-(4-hydroxyphenyl)phenoxy]carbonylphenyl]-diphenylsilyl]benzoic acid
CID 101414949
[4-[2-(4-methylphenyl)-2-oxoethyl]phenyl] 4-hydroxybenzoate
CID 89329144
4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoic acid;4-[4-(4-hydroxyphenyl)phenoxy]carbonylbenzoic acid
CID 69304710

Frequently Asked Questions

What is the IUPAC name of [4-[4-[[9-[[4-[4-(4-hydroxybenzoyl)oxyphenyl]phenyl]methyl]fluoren-9-yl]methyl]phenyl]phenyl] 4-hydroxybenzoate?
The IUPAC name of [4-[4-[[9-[[4-[4-(4-hydroxybenzoyl)oxyphenyl]phenyl]methyl]fluoren-9-yl]methyl]phenyl]phenyl] 4-hydroxybenzoate (CID 89317198) is [4-[4-[[9-[[4-[4-(4-hydroxybenzoyl)oxyphenyl]phenyl]methyl]fluoren-9-yl]methyl]phenyl]phenyl] 4-hydroxybenzoate.
What is the SMILES notation for [4-[4-[[9-[[4-[4-(4-hydroxybenzoyl)oxyphenyl]phenyl]methyl]fluoren-9-yl]methyl]phenyl]phenyl] 4-hydroxybenzoate?
The canonical SMILES for [4-[4-[[9-[[4-[4-(4-hydroxybenzoyl)oxyphenyl]phenyl]methyl]fluoren-9-yl]methyl]phenyl]phenyl] 4-hydroxybenzoate is O=C(Oc1ccc(-c2ccc(CC3(Cc4ccc(-c5ccc(OC(=O)c6ccc(O)cc6)cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1)c1ccc(O)cc1.
What is the InChIKey of [4-[4-[[9-[[4-[4-(4-hydroxybenzoyl)oxyphenyl]phenyl]methyl]fluoren-9-yl]methyl]phenyl]phenyl] 4-hydroxybenzoate?
The InChIKey is QARDVFLWAJDRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38O6/c54-43-25-17-41(18-26-43)51(56)58-45-29-21-39(22-30-45)37-13-9-35(10-14-37)33-53(49-7-3-1-5-47(49)48-6-2-4-8-50(48)53)34-36-11-15-38(16-12-36)40-23-31-46(32-24-40)59-52(57)42-19-27-44(55)28-20-42/h1-32,54-55H,33-34H2.
What are the key properties of [4-[4-[[9-[[4-[4-(4-hydroxybenzoyl)oxyphenyl]phenyl]methyl]fluoren-9-yl]methyl]phenyl]phenyl] 4-hydroxybenzoate?
[4-[4-[[9-[[4-[4-(4-hydroxybenzoyl)oxyphenyl]phenyl]methyl]fluoren-9-yl]methyl]phenyl]phenyl] 4-hydroxybenzoate has a molecular weight of 770.88 g/mol, XLogP of 11.62, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[[9-[[4-[4-(4-hydroxybenzoyl)oxyphenyl]phenyl]methyl]fluoren-9-yl]methyl]phenyl]phenyl] 4-hydroxybenzoate is sourced from PubChem (CID 89317198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).