4-[2H-naphthalen-1-ylidene(phenyl)methyl]naphthalen-1-ol

C27H20O — CID 175718818

IUPAC4-[2H-naphthalen-1-ylidene(phenyl)methyl]naphthalen-1-ol
SMILESOc1ccc(C(=C2CC=Cc3ccccc32)c2ccccc2)c2ccccc12
InChIInChI=1S/C27H20O/c28-26-18-17-25(22-14-6-7-15-23(22)26)27(20-10-2-1-3-11-20)24-16-8-12-19-9-4-5-13-21(19)24/h1-15,17-18,28H,16H2
InChIKeyRNKPFOJDAASKKK-UHFFFAOYSA-N
MW360.46 g/mol
LogP6.92
Rot. Bonds2

About 4-[2H-naphthalen-1-ylidene(phenyl)methyl]naphthalen-1-ol

4-[2H-naphthalen-1-ylidene(phenyl)methyl]naphthalen-1-ol (PubChem CID 175718818) has the molecular formula C27H20O and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-[2H-naphthalen-1-ylidene(phenyl)methyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[2H-naphthalen-1-ylidene(phenyl)methyl]naphthalen-1-ol
PubChem CID175718818
Molecular FormulaC27H20O
Molecular Weight360.46 g/mol
Exact Mass360.15
IUPAC Name4-[2H-naphthalen-1-ylidene(phenyl)methyl]naphthalen-1-ol
SMILESOc1ccc(C(=C2CC=Cc3ccccc32)c2ccccc2)c2ccccc12
InChIInChI=1S/C27H20O/c28-26-18-17-25(22-14-6-7-15-23(22)26)27(20-10-2-1-3-11-20)24-16-8-12-19-9-4-5-13-21(19)24/h1-15,17-18,28H,16H2
InChIKeyRNKPFOJDAASKKK-UHFFFAOYSA-N
XLogP6.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2H-naphthalen-1-ylidene(phenyl)methyl]naphthalen-1-ol?
The IUPAC name of 4-[2H-naphthalen-1-ylidene(phenyl)methyl]naphthalen-1-ol (CID 175718818) is 4-[2H-naphthalen-1-ylidene(phenyl)methyl]naphthalen-1-ol.
What is the SMILES notation for 4-[2H-naphthalen-1-ylidene(phenyl)methyl]naphthalen-1-ol?
The canonical SMILES for 4-[2H-naphthalen-1-ylidene(phenyl)methyl]naphthalen-1-ol is Oc1ccc(C(=C2CC=Cc3ccccc32)c2ccccc2)c2ccccc12.
What is the InChIKey of 4-[2H-naphthalen-1-ylidene(phenyl)methyl]naphthalen-1-ol?
The InChIKey is RNKPFOJDAASKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20O/c28-26-18-17-25(22-14-6-7-15-23(22)26)27(20-10-2-1-3-11-20)24-16-8-12-19-9-4-5-13-21(19)24/h1-15,17-18,28H,16H2.
What are the key properties of 4-[2H-naphthalen-1-ylidene(phenyl)methyl]naphthalen-1-ol?
4-[2H-naphthalen-1-ylidene(phenyl)methyl]naphthalen-1-ol has a molecular weight of 360.46 g/mol, XLogP of 6.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2H-naphthalen-1-ylidene(phenyl)methyl]naphthalen-1-ol is sourced from PubChem (CID 175718818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).