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

C27H18O2 — CID 3033966

IUPAC(4E)-4-[(4-hydroxynaphthalen-1-yl)-phenylmethylidene]naphthalen-1-one
SMILESO=C1C=C/C(=C(/c2ccccc2)c2ccc(O)c3ccccc23)c2ccccc21
InChIInChI=1S/C27H18O2/c28-25-16-14-23(19-10-4-6-12-21(19)25)27(18-8-2-1-3-9-18)24-15-17-26(29)22-13-7-5-11-20(22)24/h1-17,28H/b27-24+
InChIKeyVDDWRTZCUJCDJM-SOYKGTTHSA-N
MW374.44 g/mol
LogP6.26
Rot. Bonds2

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

(4E)-4-[(4-hydroxynaphthalen-1-yl)-phenylmethylidene]naphthalen-1-one (PubChem CID 3033966) has the molecular formula C27H18O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is (4E)-4-[(4-hydroxynaphthalen-1-yl)-phenylmethylidene]naphthalen-1-one.

Molecular Properties

Compound Name(4E)-4-[(4-hydroxynaphthalen-1-yl)-phenylmethylidene]naphthalen-1-one
PubChem CID3033966
Molecular FormulaC27H18O2
Molecular Weight374.44 g/mol
Exact Mass374.13
IUPAC Name(4E)-4-[(4-hydroxynaphthalen-1-yl)-phenylmethylidene]naphthalen-1-one
SMILESO=C1C=C/C(=C(/c2ccccc2)c2ccc(O)c3ccccc23)c2ccccc21
InChIInChI=1S/C27H18O2/c28-25-16-14-23(19-10-4-6-12-21(19)25)27(18-8-2-1-3-9-18)24-15-17-26(29)22-13-7-5-11-20(22)24/h1-17,28H/b27-24+
InChIKeyVDDWRTZCUJCDJM-SOYKGTTHSA-N
XLogP6.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(4-hydroxynaphthalen-1-yl)-phenylmethylidene]naphthalen-1-one?
The IUPAC name of (4E)-4-[(4-hydroxynaphthalen-1-yl)-phenylmethylidene]naphthalen-1-one (CID 3033966) is (4E)-4-[(4-hydroxynaphthalen-1-yl)-phenylmethylidene]naphthalen-1-one.
What is the SMILES notation for (4E)-4-[(4-hydroxynaphthalen-1-yl)-phenylmethylidene]naphthalen-1-one?
The canonical SMILES for (4E)-4-[(4-hydroxynaphthalen-1-yl)-phenylmethylidene]naphthalen-1-one is O=C1C=C/C(=C(/c2ccccc2)c2ccc(O)c3ccccc23)c2ccccc21.
What is the InChIKey of (4E)-4-[(4-hydroxynaphthalen-1-yl)-phenylmethylidene]naphthalen-1-one?
The InChIKey is VDDWRTZCUJCDJM-SOYKGTTHSA-N. The full InChI is InChI=1S/C27H18O2/c28-25-16-14-23(19-10-4-6-12-21(19)25)27(18-8-2-1-3-9-18)24-15-17-26(29)22-13-7-5-11-20(22)24/h1-17,28H/b27-24+.
What are the key properties of (4E)-4-[(4-hydroxynaphthalen-1-yl)-phenylmethylidene]naphthalen-1-one?
(4E)-4-[(4-hydroxynaphthalen-1-yl)-phenylmethylidene]naphthalen-1-one has a molecular weight of 374.44 g/mol, XLogP of 6.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(4-hydroxynaphthalen-1-yl)-phenylmethylidene]naphthalen-1-one is sourced from PubChem (CID 3033966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).