3-[[(Z)-2-[4-[N-(furan-2-yl)anilino]phenyl]ethenoxy]methyl]naphthalene-2-carbaldehyde

C30H23NO3 — CID 173476775

IUPAC3-[[(Z)-2-[4-[N-(furan-2-yl)anilino]phenyl]ethenoxy]methyl]naphthalene-2-carbaldehyde
SMILESO=Cc1cc2ccccc2cc1CO/C=C\c1ccc(N(c2ccccc2)c2ccco2)cc1
InChIInChI=1S/C30H23NO3/c32-21-26-19-24-7-4-5-8-25(24)20-27(26)22-33-18-16-23-12-14-29(15-13-23)31(30-11-6-17-34-30)28-9-2-1-3-10-28/h1-21H,22H2/b18-16-
InChIKeyUBTDUQAEVSDDPC-VLGSPTGOSA-N
MW445.52 g/mol
LogP7.90
Rot. Bonds8

About 3-[[(Z)-2-[4-[N-(furan-2-yl)anilino]phenyl]ethenoxy]methyl]naphthalene-2-carbaldehyde

3-[[(Z)-2-[4-[N-(furan-2-yl)anilino]phenyl]ethenoxy]methyl]naphthalene-2-carbaldehyde (PubChem CID 173476775) has the molecular formula C30H23NO3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 3-[[(Z)-2-[4-[N-(furan-2-yl)anilino]phenyl]ethenoxy]methyl]naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name3-[[(Z)-2-[4-[N-(furan-2-yl)anilino]phenyl]ethenoxy]methyl]naphthalene-2-carbaldehyde
PubChem CID173476775
Molecular FormulaC30H23NO3
Molecular Weight445.52 g/mol
Exact Mass445.17
IUPAC Name3-[[(Z)-2-[4-[N-(furan-2-yl)anilino]phenyl]ethenoxy]methyl]naphthalene-2-carbaldehyde
SMILESO=Cc1cc2ccccc2cc1CO/C=C\c1ccc(N(c2ccccc2)c2ccco2)cc1
InChIInChI=1S/C30H23NO3/c32-21-26-19-24-7-4-5-8-25(24)20-27(26)22-33-18-16-23-12-14-29(15-13-23)31(30-11-6-17-34-30)28-9-2-1-3-10-28/h1-21H,22H2/b18-16-
InChIKeyUBTDUQAEVSDDPC-VLGSPTGOSA-N
XLogP7.90
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.52
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[(Z)-2-[4-[N-(furan-2-yl)anilino]phenyl]ethenoxy]methyl]naphthalene-2-carbaldehyde?
The IUPAC name of 3-[[(Z)-2-[4-[N-(furan-2-yl)anilino]phenyl]ethenoxy]methyl]naphthalene-2-carbaldehyde (CID 173476775) is 3-[[(Z)-2-[4-[N-(furan-2-yl)anilino]phenyl]ethenoxy]methyl]naphthalene-2-carbaldehyde.
What is the SMILES notation for 3-[[(Z)-2-[4-[N-(furan-2-yl)anilino]phenyl]ethenoxy]methyl]naphthalene-2-carbaldehyde?
The canonical SMILES for 3-[[(Z)-2-[4-[N-(furan-2-yl)anilino]phenyl]ethenoxy]methyl]naphthalene-2-carbaldehyde is O=Cc1cc2ccccc2cc1CO/C=C\c1ccc(N(c2ccccc2)c2ccco2)cc1.
What is the InChIKey of 3-[[(Z)-2-[4-[N-(furan-2-yl)anilino]phenyl]ethenoxy]methyl]naphthalene-2-carbaldehyde?
The InChIKey is UBTDUQAEVSDDPC-VLGSPTGOSA-N. The full InChI is InChI=1S/C30H23NO3/c32-21-26-19-24-7-4-5-8-25(24)20-27(26)22-33-18-16-23-12-14-29(15-13-23)31(30-11-6-17-34-30)28-9-2-1-3-10-28/h1-21H,22H2/b18-16-.
What are the key properties of 3-[[(Z)-2-[4-[N-(furan-2-yl)anilino]phenyl]ethenoxy]methyl]naphthalene-2-carbaldehyde?
3-[[(Z)-2-[4-[N-(furan-2-yl)anilino]phenyl]ethenoxy]methyl]naphthalene-2-carbaldehyde has a molecular weight of 445.52 g/mol, XLogP of 7.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(Z)-2-[4-[N-(furan-2-yl)anilino]phenyl]ethenoxy]methyl]naphthalene-2-carbaldehyde is sourced from PubChem (CID 173476775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).