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

C44H33NO2 — CID 88970604

IUPAC2-[2-[6-(4-phenyl-N-(2-phenylphenyl)anilino)naphthalen-2-yl]ethenoxymethyl]benzaldehyde
SMILESO=Cc1ccccc1COC=Cc1ccc2cc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)ccc2c1
InChIInChI=1S/C44H33NO2/c46-31-39-15-7-8-16-40(39)32-47-28-27-33-19-20-38-30-42(26-23-37(38)29-33)45(41-24-21-35(22-25-41)34-11-3-1-4-12-34)44-18-10-9-17-43(44)36-13-5-2-6-14-36/h1-31H,32H2
InChIKeyMUWOFLGXQQNTMX-UHFFFAOYSA-N
MW607.75 g/mol
LogP11.64
Rot. Bonds10

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

2-[2-[6-(4-phenyl-N-(2-phenylphenyl)anilino)naphthalen-2-yl]ethenoxymethyl]benzaldehyde (PubChem CID 88970604) has the molecular formula C44H33NO2 and a molecular weight of 607.75 g/mol. Its IUPAC name is 2-[2-[6-(4-phenyl-N-(2-phenylphenyl)anilino)naphthalen-2-yl]ethenoxymethyl]benzaldehyde.

Molecular Properties

Compound Name2-[2-[6-(4-phenyl-N-(2-phenylphenyl)anilino)naphthalen-2-yl]ethenoxymethyl]benzaldehyde
PubChem CID88970604
Molecular FormulaC44H33NO2
Molecular Weight607.75 g/mol
Exact Mass607.25
IUPAC Name2-[2-[6-(4-phenyl-N-(2-phenylphenyl)anilino)naphthalen-2-yl]ethenoxymethyl]benzaldehyde
SMILESO=Cc1ccccc1COC=Cc1ccc2cc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)ccc2c1
InChIInChI=1S/C44H33NO2/c46-31-39-15-7-8-16-40(39)32-47-28-27-33-19-20-38-30-42(26-23-37(38)29-33)45(41-24-21-35(22-25-41)34-11-3-1-4-12-34)44-18-10-9-17-43(44)36-13-5-2-6-14-36/h1-31H,32H2
InChIKeyMUWOFLGXQQNTMX-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-(2-phenyl-N-(2-phenylphenyl)anilino)naphthalen-2-yl]ethenoxymethyl]benzaldehyde
CID 88966799
2-[2-[6-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]ethenoxymethyl]benzaldehyde
CID 88966792
2-[2-[6-[naphthalen-1-yl(naphthalen-2-yl)amino]naphthalen-2-yl]ethenoxymethyl]benzaldehyde
CID 88966794
2-phenyl-N-[4-[[2-[(E)-2-(6-phenylnaphthalen-2-yl)ethenyl]phenyl]iminomethyl]phenyl]-N-(4-phenylphenyl)aniline
CID 170652699
16-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032610
2-phenyl-N-[3-[(E)-2-phenylethenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59705594
N-[4-(4-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 172502016
N,N-diphenyl-6-[2-[6-[2-(4-phenylphenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-amine
CID 72565650
N,2-diphenyl-N-[4-[3-[3-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]aniline;N,3-diphenyl-N-[4-[3-[3-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]aniline;N-[4-[3-[3-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-N-(4-phenylphenyl)-3-[3-[3-[3-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158453384
N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]ethenyl]-N-phenylnaphthalen-2-amine
CID 58870889
N-(4-naphthalen-2-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 172502769
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121387002

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-(4-phenyl-N-(2-phenylphenyl)anilino)naphthalen-2-yl]ethenoxymethyl]benzaldehyde?
The IUPAC name of 2-[2-[6-(4-phenyl-N-(2-phenylphenyl)anilino)naphthalen-2-yl]ethenoxymethyl]benzaldehyde (CID 88970604) is 2-[2-[6-(4-phenyl-N-(2-phenylphenyl)anilino)naphthalen-2-yl]ethenoxymethyl]benzaldehyde.
What is the SMILES notation for 2-[2-[6-(4-phenyl-N-(2-phenylphenyl)anilino)naphthalen-2-yl]ethenoxymethyl]benzaldehyde?
The canonical SMILES for 2-[2-[6-(4-phenyl-N-(2-phenylphenyl)anilino)naphthalen-2-yl]ethenoxymethyl]benzaldehyde is O=Cc1ccccc1COC=Cc1ccc2cc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)ccc2c1.
What is the InChIKey of 2-[2-[6-(4-phenyl-N-(2-phenylphenyl)anilino)naphthalen-2-yl]ethenoxymethyl]benzaldehyde?
The InChIKey is MUWOFLGXQQNTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33NO2/c46-31-39-15-7-8-16-40(39)32-47-28-27-33-19-20-38-30-42(26-23-37(38)29-33)45(41-24-21-35(22-25-41)34-11-3-1-4-12-34)44-18-10-9-17-43(44)36-13-5-2-6-14-36/h1-31H,32H2.
What are the key properties of 2-[2-[6-(4-phenyl-N-(2-phenylphenyl)anilino)naphthalen-2-yl]ethenoxymethyl]benzaldehyde?
2-[2-[6-(4-phenyl-N-(2-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-(2-phenylphenyl)anilino)naphthalen-2-yl]ethenoxymethyl]benzaldehyde is sourced from PubChem (CID 88970604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).