[4-[9-[4-(2-fluorobenzoyl)oxyphenyl]fluoren-9-yl]phenyl] 2-fluorobenzoate

C39H24F2O4 — CID 4034550

IUPAC[4-[9-[4-(2-fluorobenzoyl)oxyphenyl]fluoren-9-yl]phenyl] 2-fluorobenzoate
SMILESO=C(Oc1ccc(C2(c3ccc(OC(=O)c4ccccc4F)cc3)c3ccccc3-c3ccccc32)cc1)c1ccccc1F
InChIInChI=1S/C39H24F2O4/c40-35-15-7-3-11-31(35)37(42)44-27-21-17-25(18-22-27)39(33-13-5-1-9-29(33)30-10-2-6-14-34(30)39)26-19-23-28(24-20-26)45-38(43)32-12-4-8-16-36(32)41/h1-24H
InChIKeyAACJWFFAGCZFQA-UHFFFAOYSA-N
MW594.61 g/mol
LogP8.77
Rot. Bonds6

About [4-[9-[4-(2-fluorobenzoyl)oxyphenyl]fluoren-9-yl]phenyl] 2-fluorobenzoate

[4-[9-[4-(2-fluorobenzoyl)oxyphenyl]fluoren-9-yl]phenyl] 2-fluorobenzoate (PubChem CID 4034550) has the molecular formula C39H24F2O4 and a molecular weight of 594.61 g/mol. Its IUPAC name is [4-[9-[4-(2-fluorobenzoyl)oxyphenyl]fluoren-9-yl]phenyl] 2-fluorobenzoate.

Molecular Properties

Compound Name[4-[9-[4-(2-fluorobenzoyl)oxyphenyl]fluoren-9-yl]phenyl] 2-fluorobenzoate
PubChem CID4034550
Molecular FormulaC39H24F2O4
Molecular Weight594.61 g/mol
Exact Mass594.16
IUPAC Name[4-[9-[4-(2-fluorobenzoyl)oxyphenyl]fluoren-9-yl]phenyl] 2-fluorobenzoate
SMILESO=C(Oc1ccc(C2(c3ccc(OC(=O)c4ccccc4F)cc3)c3ccccc3-c3ccccc32)cc1)c1ccccc1F
InChIInChI=1S/C39H24F2O4/c40-35-15-7-3-11-31(35)37(42)44-27-21-17-25(18-22-27)39(33-13-5-1-9-29(33)30-10-2-6-14-34(30)39)26-19-23-28(24-20-26)45-38(43)32-12-4-8-16-36(32)41/h1-24H
InChIKeyAACJWFFAGCZFQA-UHFFFAOYSA-N
XLogP8.77
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.61
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-fluorobenzoyl)oxyphenyl] 2-fluorobenzoate
CID 579414
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] benzoate
CID 21349038
4-(2-fluorobenzoyl)oxybenzoic acid
CID 54854449
bis[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] thiophene-2,5-dicarboxylate
CID 146347020
[4-[9-[4-(3-methylbenzoyl)oxyphenyl]fluoren-9-yl]phenyl] 3-methylbenzoate
CID 3091653
(4-acetylphenyl) 2-fluorobenzoate
CID 23011837
[4-[9-(4-but-2-enoyloxyphenyl)fluoren-9-yl]phenyl] but-2-enoate
CID 77431190
[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
CID 89273761
tert-butyl [4-[9-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]fluoren-9-yl]phenyl] carbonate
CID 68898007
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] 3,5-diacetylbenzoate
CID 59331100
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
CID 155279972
methyl [4-[9-(4-methylphenyl)fluoren-9-yl]phenyl] carbonate
CID 89179982

Frequently Asked Questions

What is the IUPAC name of [4-[9-[4-(2-fluorobenzoyl)oxyphenyl]fluoren-9-yl]phenyl] 2-fluorobenzoate?
The IUPAC name of [4-[9-[4-(2-fluorobenzoyl)oxyphenyl]fluoren-9-yl]phenyl] 2-fluorobenzoate (CID 4034550) is [4-[9-[4-(2-fluorobenzoyl)oxyphenyl]fluoren-9-yl]phenyl] 2-fluorobenzoate.
What is the SMILES notation for [4-[9-[4-(2-fluorobenzoyl)oxyphenyl]fluoren-9-yl]phenyl] 2-fluorobenzoate?
The canonical SMILES for [4-[9-[4-(2-fluorobenzoyl)oxyphenyl]fluoren-9-yl]phenyl] 2-fluorobenzoate is O=C(Oc1ccc(C2(c3ccc(OC(=O)c4ccccc4F)cc3)c3ccccc3-c3ccccc32)cc1)c1ccccc1F.
What is the InChIKey of [4-[9-[4-(2-fluorobenzoyl)oxyphenyl]fluoren-9-yl]phenyl] 2-fluorobenzoate?
The InChIKey is AACJWFFAGCZFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24F2O4/c40-35-15-7-3-11-31(35)37(42)44-27-21-17-25(18-22-27)39(33-13-5-1-9-29(33)30-10-2-6-14-34(30)39)26-19-23-28(24-20-26)45-38(43)32-12-4-8-16-36(32)41/h1-24H.
What are the key properties of [4-[9-[4-(2-fluorobenzoyl)oxyphenyl]fluoren-9-yl]phenyl] 2-fluorobenzoate?
[4-[9-[4-(2-fluorobenzoyl)oxyphenyl]fluoren-9-yl]phenyl] 2-fluorobenzoate has a molecular weight of 594.61 g/mol, XLogP of 8.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[9-[4-(2-fluorobenzoyl)oxyphenyl]fluoren-9-yl]phenyl] 2-fluorobenzoate is sourced from PubChem (CID 4034550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).