(4E)-4-[(4-bromophenyl)-(4-hydroxynaphthalen-1-yl)methylidene]naphthalen-1-one

C27H17BrO2 — CID 11797941

IUPAC(4E)-4-[(4-bromophenyl)-(4-hydroxynaphthalen-1-yl)methylidene]naphthalen-1-one
SMILESO=C1C=C/C(=C(/c2ccc(Br)cc2)c2ccc(O)c3ccccc23)c2ccccc21
InChIInChI=1S/C27H17BrO2/c28-18-11-9-17(10-12-18)27(23-13-15-25(29)21-7-3-1-5-19(21)23)24-14-16-26(30)22-8-4-2-6-20(22)24/h1-16,29H/b27-24+
InChIKeyJOGVYBSXUSMEMA-SOYKGTTHSA-N
MW453.34 g/mol
LogP7.02
Rot. Bonds2

About (4E)-4-[(4-bromophenyl)-(4-hydroxynaphthalen-1-yl)methylidene]naphthalen-1-one

(4E)-4-[(4-bromophenyl)-(4-hydroxynaphthalen-1-yl)methylidene]naphthalen-1-one (PubChem CID 11797941) has the molecular formula C27H17BrO2 and a molecular weight of 453.34 g/mol. Its IUPAC name is (4E)-4-[(4-bromophenyl)-(4-hydroxynaphthalen-1-yl)methylidene]naphthalen-1-one.

Molecular Properties

Compound Name(4E)-4-[(4-bromophenyl)-(4-hydroxynaphthalen-1-yl)methylidene]naphthalen-1-one
PubChem CID11797941
Molecular FormulaC27H17BrO2
Molecular Weight453.34 g/mol
Exact Mass452.04
IUPAC Name(4E)-4-[(4-bromophenyl)-(4-hydroxynaphthalen-1-yl)methylidene]naphthalen-1-one
SMILESO=C1C=C/C(=C(/c2ccc(Br)cc2)c2ccc(O)c3ccccc23)c2ccccc21
InChIInChI=1S/C27H17BrO2/c28-18-11-9-17(10-12-18)27(23-13-15-25(29)21-7-3-1-5-19(21)23)24-14-16-26(30)22-8-4-2-6-20(22)24/h1-16,29H/b27-24+
InChIKeyJOGVYBSXUSMEMA-SOYKGTTHSA-N
XLogP7.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.34
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4E)-4-[(4-bromophenyl)-(4-hydroxynaphthalen-1-yl)methylidene]naphthalen-1-one 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 (4E)-4-[(4-bromophenyl)-(4-hydroxynaphthalen-1-yl)methylidene]naphthalen-1-one?
The IUPAC name of (4E)-4-[(4-bromophenyl)-(4-hydroxynaphthalen-1-yl)methylidene]naphthalen-1-one (CID 11797941) is (4E)-4-[(4-bromophenyl)-(4-hydroxynaphthalen-1-yl)methylidene]naphthalen-1-one.
What is the SMILES notation for (4E)-4-[(4-bromophenyl)-(4-hydroxynaphthalen-1-yl)methylidene]naphthalen-1-one?
The canonical SMILES for (4E)-4-[(4-bromophenyl)-(4-hydroxynaphthalen-1-yl)methylidene]naphthalen-1-one is O=C1C=C/C(=C(/c2ccc(Br)cc2)c2ccc(O)c3ccccc23)c2ccccc21.
What is the InChIKey of (4E)-4-[(4-bromophenyl)-(4-hydroxynaphthalen-1-yl)methylidene]naphthalen-1-one?
The InChIKey is JOGVYBSXUSMEMA-SOYKGTTHSA-N. The full InChI is InChI=1S/C27H17BrO2/c28-18-11-9-17(10-12-18)27(23-13-15-25(29)21-7-3-1-5-19(21)23)24-14-16-26(30)22-8-4-2-6-20(22)24/h1-16,29H/b27-24+.
What are the key properties of (4E)-4-[(4-bromophenyl)-(4-hydroxynaphthalen-1-yl)methylidene]naphthalen-1-one?
(4E)-4-[(4-bromophenyl)-(4-hydroxynaphthalen-1-yl)methylidene]naphthalen-1-one has a molecular weight of 453.34 g/mol, XLogP of 7.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(4-bromophenyl)-(4-hydroxynaphthalen-1-yl)methylidene]naphthalen-1-one is sourced from PubChem (CID 11797941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).