4-[(4-fluorophenyl)-[9-(4-fluorophenyl)-7-[(4-fluorophenyl)-(4-hydroxy-3,5-dimethylphenyl)methyl]acridin-2-yl]methyl]-2,6-dimethylphenol

C49H38F3NO2 — CID 22023977

IUPAC4-[(4-fluorophenyl)-[9-(4-fluorophenyl)-7-[(4-fluorophenyl)-(4-hydroxy-3,5-dimethylphenyl)methyl]acridin-2-yl]methyl]-2,6-dimethylphenol
SMILESCc1cc(C(c2ccc(F)cc2)c2ccc3nc4ccc(C(c5ccc(F)cc5)c5cc(C)c(O)c(C)c5)cc4c(-c4ccc(F)cc4)c3c2)cc(C)c1O
InChIInChI=1S/C49H38F3NO2/c1-27-21-36(22-28(2)48(27)54)45(31-5-13-38(50)14-6-31)34-11-19-43-41(25-34)47(33-9-17-40(52)18-10-33)42-26-35(12-20-44(42)53-43)46(32-7-15-39(51)16-8-32)37-23-29(3)49(55)30(4)24-37/h5-26,45-46,54-55H,1-4H3
InChIKeyJVYNPVQMGAYANW-UHFFFAOYSA-N
MW729.84 g/mol
LogP12.48
Rot. Bonds7

About 4-[(4-fluorophenyl)-[9-(4-fluorophenyl)-7-[(4-fluorophenyl)-(4-hydroxy-3,5-dimethylphenyl)methyl]acridin-2-yl]methyl]-2,6-dimethylphenol

4-[(4-fluorophenyl)-[9-(4-fluorophenyl)-7-[(4-fluorophenyl)-(4-hydroxy-3,5-dimethylphenyl)methyl]acridin-2-yl]methyl]-2,6-dimethylphenol (PubChem CID 22023977) has the molecular formula C49H38F3NO2 and a molecular weight of 729.84 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)-[9-(4-fluorophenyl)-7-[(4-fluorophenyl)-(4-hydroxy-3,5-dimethylphenyl)methyl]acridin-2-yl]methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(4-fluorophenyl)-[9-(4-fluorophenyl)-7-[(4-fluorophenyl)-(4-hydroxy-3,5-dimethylphenyl)methyl]acridin-2-yl]methyl]-2,6-dimethylphenol
PubChem CID22023977
Molecular FormulaC49H38F3NO2
Molecular Weight729.84 g/mol
Exact Mass729.29
IUPAC Name4-[(4-fluorophenyl)-[9-(4-fluorophenyl)-7-[(4-fluorophenyl)-(4-hydroxy-3,5-dimethylphenyl)methyl]acridin-2-yl]methyl]-2,6-dimethylphenol
SMILESCc1cc(C(c2ccc(F)cc2)c2ccc3nc4ccc(C(c5ccc(F)cc5)c5cc(C)c(O)c(C)c5)cc4c(-c4ccc(F)cc4)c3c2)cc(C)c1O
InChIInChI=1S/C49H38F3NO2/c1-27-21-36(22-28(2)48(27)54)45(31-5-13-38(50)14-6-31)34-11-19-43-41(25-34)47(33-9-17-40(52)18-10-33)42-26-35(12-20-44(42)53-43)46(32-7-15-39(51)16-8-32)37-23-29(3)49(55)30(4)24-37/h5-26,45-46,54-55H,1-4H3
InChIKeyJVYNPVQMGAYANW-UHFFFAOYSA-N
XLogP12.48
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.84
LogP ≤ 512.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)-[9-(4-fluorophenyl)-7-[(4-fluorophenyl)-(4-hydroxy-3,5-dimethylphenyl)methyl]acridin-2-yl]methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(4-fluorophenyl)-[9-(4-fluorophenyl)-7-[(4-fluorophenyl)-(4-hydroxy-3,5-dimethylphenyl)methyl]acridin-2-yl]methyl]-2,6-dimethylphenol (CID 22023977) is 4-[(4-fluorophenyl)-[9-(4-fluorophenyl)-7-[(4-fluorophenyl)-(4-hydroxy-3,5-dimethylphenyl)methyl]acridin-2-yl]methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(4-fluorophenyl)-[9-(4-fluorophenyl)-7-[(4-fluorophenyl)-(4-hydroxy-3,5-dimethylphenyl)methyl]acridin-2-yl]methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(4-fluorophenyl)-[9-(4-fluorophenyl)-7-[(4-fluorophenyl)-(4-hydroxy-3,5-dimethylphenyl)methyl]acridin-2-yl]methyl]-2,6-dimethylphenol is Cc1cc(C(c2ccc(F)cc2)c2ccc3nc4ccc(C(c5ccc(F)cc5)c5cc(C)c(O)c(C)c5)cc4c(-c4ccc(F)cc4)c3c2)cc(C)c1O.
What is the InChIKey of 4-[(4-fluorophenyl)-[9-(4-fluorophenyl)-7-[(4-fluorophenyl)-(4-hydroxy-3,5-dimethylphenyl)methyl]acridin-2-yl]methyl]-2,6-dimethylphenol?
The InChIKey is JVYNPVQMGAYANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H38F3NO2/c1-27-21-36(22-28(2)48(27)54)45(31-5-13-38(50)14-6-31)34-11-19-43-41(25-34)47(33-9-17-40(52)18-10-33)42-26-35(12-20-44(42)53-43)46(32-7-15-39(51)16-8-32)37-23-29(3)49(55)30(4)24-37/h5-26,45-46,54-55H,1-4H3.
What are the key properties of 4-[(4-fluorophenyl)-[9-(4-fluorophenyl)-7-[(4-fluorophenyl)-(4-hydroxy-3,5-dimethylphenyl)methyl]acridin-2-yl]methyl]-2,6-dimethylphenol?
4-[(4-fluorophenyl)-[9-(4-fluorophenyl)-7-[(4-fluorophenyl)-(4-hydroxy-3,5-dimethylphenyl)methyl]acridin-2-yl]methyl]-2,6-dimethylphenol has a molecular weight of 729.84 g/mol, XLogP of 12.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)-[9-(4-fluorophenyl)-7-[(4-fluorophenyl)-(4-hydroxy-3,5-dimethylphenyl)methyl]acridin-2-yl]methyl]-2,6-dimethylphenol is sourced from PubChem (CID 22023977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).