6-[naphthalen-1-yl(naphthalen-2-yl)amino]naphthalene-2-carbaldehyde

C31H21NO — CID 88907178

IUPAC6-[naphthalen-1-yl(naphthalen-2-yl)amino]naphthalene-2-carbaldehyde
SMILESO=Cc1ccc2cc(N(c3ccc4ccccc4c3)c3cccc4ccccc34)ccc2c1
InChIInChI=1S/C31H21NO/c33-21-22-12-13-27-20-29(17-15-26(27)18-22)32(28-16-14-23-6-1-2-8-25(23)19-28)31-11-5-9-24-7-3-4-10-30(24)31/h1-21H
InChIKeyIPBRTZHHYTXHOW-UHFFFAOYSA-N
MW423.52 g/mol
LogP8.43
Rot. Bonds4

About 6-[naphthalen-1-yl(naphthalen-2-yl)amino]naphthalene-2-carbaldehyde

6-[naphthalen-1-yl(naphthalen-2-yl)amino]naphthalene-2-carbaldehyde (PubChem CID 88907178) has the molecular formula C31H21NO and a molecular weight of 423.52 g/mol. Its IUPAC name is 6-[naphthalen-1-yl(naphthalen-2-yl)amino]naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name6-[naphthalen-1-yl(naphthalen-2-yl)amino]naphthalene-2-carbaldehyde
PubChem CID88907178
Molecular FormulaC31H21NO
Molecular Weight423.52 g/mol
Exact Mass423.16
IUPAC Name6-[naphthalen-1-yl(naphthalen-2-yl)amino]naphthalene-2-carbaldehyde
SMILESO=Cc1ccc2cc(N(c3ccc4ccccc4c3)c3cccc4ccccc34)ccc2c1
InChIInChI=1S/C31H21NO/c33-21-22-12-13-27-20-29(17-15-26(27)18-22)32(28-16-14-23-6-1-2-8-25(23)19-28)31-11-5-9-24-7-3-4-10-30(24)31/h1-21H
InChIKeyIPBRTZHHYTXHOW-UHFFFAOYSA-N
XLogP8.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

naphthalene;2-N,2-N,6-N,6-N-tetranaphthalen-1-ylnaphthalene-2,6-diamine
CID 161142905
N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]ethenyl]-N-phenylnaphthalen-2-amine
CID 58870889
N-naphthalen-1-yl-N-[4-[4-[(E)-2-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-2-amine
CID 58511479
N-naphthalen-1-yl-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]-N-phenylnaphthalen-2-amine
CID 59270592
2-N,2-N,6-N,6-N-tetranaphthalen-1-ylnaphthalene-2,6-diamine
CID 159424391
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 58598982
2-[2-[6-[naphthalen-1-yl(naphthalen-2-yl)amino]naphthalen-2-yl]ethenoxymethyl]benzaldehyde
CID 88966794
N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292209
N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-yl-4-trimethylsilylanilino)naphthalen-2-yl]ethenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine
CID 140926321
N-[4-[(E)-2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 89067707
N,N-bis[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-2-amine
CID 59893001
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 158284393

Frequently Asked Questions

What is the IUPAC name of 6-[naphthalen-1-yl(naphthalen-2-yl)amino]naphthalene-2-carbaldehyde?
The IUPAC name of 6-[naphthalen-1-yl(naphthalen-2-yl)amino]naphthalene-2-carbaldehyde (CID 88907178) is 6-[naphthalen-1-yl(naphthalen-2-yl)amino]naphthalene-2-carbaldehyde.
What is the SMILES notation for 6-[naphthalen-1-yl(naphthalen-2-yl)amino]naphthalene-2-carbaldehyde?
The canonical SMILES for 6-[naphthalen-1-yl(naphthalen-2-yl)amino]naphthalene-2-carbaldehyde is O=Cc1ccc2cc(N(c3ccc4ccccc4c3)c3cccc4ccccc34)ccc2c1.
What is the InChIKey of 6-[naphthalen-1-yl(naphthalen-2-yl)amino]naphthalene-2-carbaldehyde?
The InChIKey is IPBRTZHHYTXHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21NO/c33-21-22-12-13-27-20-29(17-15-26(27)18-22)32(28-16-14-23-6-1-2-8-25(23)19-28)31-11-5-9-24-7-3-4-10-30(24)31/h1-21H.
What are the key properties of 6-[naphthalen-1-yl(naphthalen-2-yl)amino]naphthalene-2-carbaldehyde?
6-[naphthalen-1-yl(naphthalen-2-yl)amino]naphthalene-2-carbaldehyde has a molecular weight of 423.52 g/mol, XLogP of 8.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[naphthalen-1-yl(naphthalen-2-yl)amino]naphthalene-2-carbaldehyde is sourced from PubChem (CID 88907178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).