5-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]thiophene-2-carbaldehyde

C29H21NOS — CID 139256586

IUPAC5-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)c3ccccc23)s1
InChIInChI=1S/C29H21NOS/c31-21-26-19-18-25(32-26)17-15-22-16-20-29(28-14-8-7-13-27(22)28)30(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-21H/b17-15+
InChIKeyLVBYBEJQSBDJTM-BMRADRMJSA-N
MW431.56 g/mol
LogP8.35
Rot. Bonds6

About 5-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]thiophene-2-carbaldehyde

5-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]thiophene-2-carbaldehyde (PubChem CID 139256586) has the molecular formula C29H21NOS and a molecular weight of 431.56 g/mol. Its IUPAC name is 5-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]thiophene-2-carbaldehyde
PubChem CID139256586
Molecular FormulaC29H21NOS
Molecular Weight431.56 g/mol
Exact Mass431.13
IUPAC Name5-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)c3ccccc23)s1
InChIInChI=1S/C29H21NOS/c31-21-26-19-18-25(32-26)17-15-22-16-20-29(28-14-8-7-13-27(22)28)30(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-21H/b17-15+
InChIKeyLVBYBEJQSBDJTM-BMRADRMJSA-N
XLogP8.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]naphthalen-1-amine
CID 59412956
N,N-diphenyl-4-[4-[4-(N-phenylanilino)naphthalen-1-yl]buta-1,3-dienyl]naphthalen-1-amine
CID 58898602
4-(2-naphthalen-1-ylethenyl)-N,N-diphenylnaphthalen-1-amine
CID 76823036
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-amine
CID 59412951
5-[2,2-bis[4-(N-phenylanilino)phenyl]ethenyl]thiophene-2-carbaldehyde
CID 122216829
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]ethenyl]aniline
CID 22089651
2-[2,6-bis[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]pyran-4-ylidene]propanedinitrile
CID 11961177
5-[4-[2-[2-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]thiophene-2-carbaldehyde
CID 141409113
5-[5-[4-(4-hexoxy-N-(4-hexoxyphenyl)anilino)naphthalen-1-yl]thiophen-2-yl]thiophene-2-carbaldehyde
CID 139256580
N,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine
CID 20607956
2-(N-phenylanilino)terephthalaldehyde
CID 175280355
5-[2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophene-2-carbaldehyde
CID 86667556

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]thiophene-2-carbaldehyde (CID 139256586) is 5-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]thiophene-2-carbaldehyde is O=Cc1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)c3ccccc23)s1.
What is the InChIKey of 5-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]thiophene-2-carbaldehyde?
The InChIKey is LVBYBEJQSBDJTM-BMRADRMJSA-N. The full InChI is InChI=1S/C29H21NOS/c31-21-26-19-18-25(32-26)17-15-22-16-20-29(28-14-8-7-13-27(22)28)30(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-21H/b17-15+.
What are the key properties of 5-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]thiophene-2-carbaldehyde?
5-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]thiophene-2-carbaldehyde has a molecular weight of 431.56 g/mol, XLogP of 8.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]thiophene-2-carbaldehyde is sourced from PubChem (CID 139256586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).