2-[2-[6-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]ethenoxymethyl]benzaldehyde

C44H33NO2 — CID 88966792

IUPAC2-[2-[6-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]ethenoxymethyl]benzaldehyde
SMILESO=Cc1ccccc1COC=Cc1ccc2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc2c1
InChIInChI=1S/C44H33NO2/c46-31-40-13-7-8-14-41(40)32-47-28-27-33-15-16-39-30-44(26-21-38(39)29-33)45(42-22-17-36(18-23-42)34-9-3-1-4-10-34)43-24-19-37(20-25-43)35-11-5-2-6-12-35/h1-31H,32H2
InChIKeyNUTZTSXVEDFIRL-UHFFFAOYSA-N
MW607.75 g/mol
LogP11.64
Rot. Bonds10

About 2-[2-[6-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]ethenoxymethyl]benzaldehyde

2-[2-[6-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]ethenoxymethyl]benzaldehyde (PubChem CID 88966792) has the molecular formula C44H33NO2 and a molecular weight of 607.75 g/mol. Its IUPAC name is 2-[2-[6-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]ethenoxymethyl]benzaldehyde.

Molecular Properties

Compound Name2-[2-[6-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]ethenoxymethyl]benzaldehyde
PubChem CID88966792
Molecular FormulaC44H33NO2
Molecular Weight607.75 g/mol
Exact Mass607.25
IUPAC Name2-[2-[6-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]ethenoxymethyl]benzaldehyde
SMILESO=Cc1ccccc1COC=Cc1ccc2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc2c1
InChIInChI=1S/C44H33NO2/c46-31-40-13-7-8-14-41(40)32-47-28-27-33-15-16-39-30-44(26-21-38(39)29-33)45(42-22-17-36(18-23-42)34-9-3-1-4-10-34)43-24-19-37(20-25-43)35-11-5-2-6-12-35/h1-31H,32H2
InChIKeyNUTZTSXVEDFIRL-UHFFFAOYSA-N
XLogP11.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.75
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[6-(4-phenyl-N-(2-phenylphenyl)anilino)naphthalen-2-yl]ethenoxymethyl]benzaldehyde
CID 88970604
2-[2-[6-(2-phenyl-N-(2-phenylphenyl)anilino)naphthalen-2-yl]ethenoxymethyl]benzaldehyde
CID 88966799
2-[2-[6-[naphthalen-1-yl(naphthalen-2-yl)amino]naphthalen-2-yl]ethenoxymethyl]benzaldehyde
CID 88966794
N,N-diphenyl-6-[2-[6-[2-(4-phenylphenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-amine
CID 72565650
N-naphthalen-2-yl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 91472292
N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 89067663
3-[[(Z)-2-[4-[N-(furan-2-yl)anilino]phenyl]ethenoxy]methyl]naphthalene-2-carbaldehyde
CID 173476775
2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine
CID 166917050
N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 59029881
6-[(E)-2-[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]ethenyl]-N,N-dinaphthalen-2-ylnaphthalen-2-amine
CID 58667641
N-phenyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]-N-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]naphthalen-2-amine
CID 59690791
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]ethenoxymethyl]benzaldehyde?
The IUPAC name of 2-[2-[6-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]ethenoxymethyl]benzaldehyde (CID 88966792) is 2-[2-[6-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]ethenoxymethyl]benzaldehyde.
What is the SMILES notation for 2-[2-[6-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]ethenoxymethyl]benzaldehyde?
The canonical SMILES for 2-[2-[6-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]ethenoxymethyl]benzaldehyde is O=Cc1ccccc1COC=Cc1ccc2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc2c1.
What is the InChIKey of 2-[2-[6-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]ethenoxymethyl]benzaldehyde?
The InChIKey is NUTZTSXVEDFIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33NO2/c46-31-40-13-7-8-14-41(40)32-47-28-27-33-15-16-39-30-44(26-21-38(39)29-33)45(42-22-17-36(18-23-42)34-9-3-1-4-10-34)43-24-19-37(20-25-43)35-11-5-2-6-12-35/h1-31H,32H2.
What are the key properties of 2-[2-[6-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]ethenoxymethyl]benzaldehyde?
2-[2-[6-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]ethenoxymethyl]benzaldehyde has a molecular weight of 607.75 g/mol, XLogP of 11.64, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]ethenoxymethyl]benzaldehyde is sourced from PubChem (CID 88966792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).