(5-bromo-2-naphthalen-1-ylphenyl)-bis(4-fluorophenyl)methanol

C29H19BrF2O — CID 140964005

IUPAC(5-bromo-2-naphthalen-1-ylphenyl)-bis(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)(c1ccc(F)cc1)c1cc(Br)ccc1-c1cccc2ccccc12
InChIInChI=1S/C29H19BrF2O/c30-22-12-17-27(26-7-3-5-19-4-1-2-6-25(19)26)28(18-22)29(33,20-8-13-23(31)14-9-20)21-10-15-24(32)16-11-21/h1-18,33H
InChIKeyAJCYUHLNTIUOMR-UHFFFAOYSA-N
MW501.37 g/mol
LogP7.83
Rot. Bonds4

About (5-bromo-2-naphthalen-1-ylphenyl)-bis(4-fluorophenyl)methanol

(5-bromo-2-naphthalen-1-ylphenyl)-bis(4-fluorophenyl)methanol (PubChem CID 140964005) has the molecular formula C29H19BrF2O and a molecular weight of 501.37 g/mol. Its IUPAC name is (5-bromo-2-naphthalen-1-ylphenyl)-bis(4-fluorophenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-naphthalen-1-ylphenyl)-bis(4-fluorophenyl)methanol
PubChem CID140964005
Molecular FormulaC29H19BrF2O
Molecular Weight501.37 g/mol
Exact Mass500.06
IUPAC Name(5-bromo-2-naphthalen-1-ylphenyl)-bis(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)(c1ccc(F)cc1)c1cc(Br)ccc1-c1cccc2ccccc12
InChIInChI=1S/C29H19BrF2O/c30-22-12-17-27(26-7-3-5-19-4-1-2-6-25(19)26)28(18-22)29(33,20-8-13-23(31)14-9-20)21-10-15-24(32)16-11-21/h1-18,33H
InChIKeyAJCYUHLNTIUOMR-UHFFFAOYSA-N
XLogP7.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.37
LogP ≤ 57.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5-bromo-2-naphthalen-1-ylphenyl)-bis(4-fluorophenyl)methanol 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

2-(3-Bicyclo[3.2.2]nonanyl)-1-(6-bromophenanthren-9-yl)ethanol
CID 90669669
[17-Bromo-26-(hydroxymethyl)-7-heptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1,3(12),4(9),5,7,10,13,15,17,19,21(30),22,24(29),25,27-pentadecaenyl]methanol
CID 134864958
6-bromo-2-(3,4-difluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 22709066
[5-Bromo-2-(2-methylphenyl)phenyl]-(2-fluorophenyl)methanol
CID 54143892
1-(3-Bromo-1-fluoronaphthalen-2-yl)-2-(4-propylcyclohexyl)prop-2-en-1-ol
CID 58995687
1-(3-Bromo-6,7-difluoronaphthalen-2-yl)-2-(4-propylcyclohexyl)prop-2-en-1-ol
CID 58995690
2-Bromo-9,10-bis(4-fluorophenyl)-9,10-dihydro-9,10-anthracenediol
CID 59211150
2-(6-Bromo-2-naphthyl)-1,1,1-trifluoropropan-2-ol
CID 66637605
1-(4-Bromo-3-fluorophenyl)-2-(3-bromophenyl)-1,2-diphenylethane-1,2-diol
CID 91441003
2-(4-Bromonaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 121303143
2-(4-Bromonaphthalen-1-yl)-1,1,1,3-tetrafluoropropan-2-ol
CID 121307933
2-Bromo-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene-9,10-diol
CID 124096089

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-naphthalen-1-ylphenyl)-bis(4-fluorophenyl)methanol?
The IUPAC name of (5-bromo-2-naphthalen-1-ylphenyl)-bis(4-fluorophenyl)methanol (CID 140964005) is (5-bromo-2-naphthalen-1-ylphenyl)-bis(4-fluorophenyl)methanol.
What is the SMILES notation for (5-bromo-2-naphthalen-1-ylphenyl)-bis(4-fluorophenyl)methanol?
The canonical SMILES for (5-bromo-2-naphthalen-1-ylphenyl)-bis(4-fluorophenyl)methanol is OC(c1ccc(F)cc1)(c1ccc(F)cc1)c1cc(Br)ccc1-c1cccc2ccccc12.
What is the InChIKey of (5-bromo-2-naphthalen-1-ylphenyl)-bis(4-fluorophenyl)methanol?
The InChIKey is AJCYUHLNTIUOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19BrF2O/c30-22-12-17-27(26-7-3-5-19-4-1-2-6-25(19)26)28(18-22)29(33,20-8-13-23(31)14-9-20)21-10-15-24(32)16-11-21/h1-18,33H.
What are the key properties of (5-bromo-2-naphthalen-1-ylphenyl)-bis(4-fluorophenyl)methanol?
(5-bromo-2-naphthalen-1-ylphenyl)-bis(4-fluorophenyl)methanol has a molecular weight of 501.37 g/mol, XLogP of 7.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-naphthalen-1-ylphenyl)-bis(4-fluorophenyl)methanol is sourced from PubChem (CID 140964005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).