5-[2,2-bis[4-(N-phenylanilino)phenyl]ethenyl]thiophene-2-carbaldehyde

C43H32N2OS — CID 122216829

IUPAC5-[2,2-bis[4-(N-phenylanilino)phenyl]ethenyl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(C=C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1
InChIInChI=1S/C43H32N2OS/c46-32-42-30-29-41(47-42)31-43(33-21-25-39(26-22-33)44(35-13-5-1-6-14-35)36-15-7-2-8-16-36)34-23-27-40(28-24-34)45(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h1-32H
InChIKeyQLMFCYJVAZKWQD-UHFFFAOYSA-N
MW624.81 g/mol
LogP12.09
Rot. Bonds10

About 5-[2,2-bis[4-(N-phenylanilino)phenyl]ethenyl]thiophene-2-carbaldehyde

5-[2,2-bis[4-(N-phenylanilino)phenyl]ethenyl]thiophene-2-carbaldehyde (PubChem CID 122216829) has the molecular formula C43H32N2OS and a molecular weight of 624.81 g/mol. Its IUPAC name is 5-[2,2-bis[4-(N-phenylanilino)phenyl]ethenyl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[2,2-bis[4-(N-phenylanilino)phenyl]ethenyl]thiophene-2-carbaldehyde
PubChem CID122216829
Molecular FormulaC43H32N2OS
Molecular Weight624.81 g/mol
Exact Mass624.22
IUPAC Name5-[2,2-bis[4-(N-phenylanilino)phenyl]ethenyl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(C=C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1
InChIInChI=1S/C43H32N2OS/c46-32-42-30-29-41(47-42)31-43(33-21-25-39(26-22-33)44(35-13-5-1-6-14-35)36-15-7-2-8-16-36)34-23-27-40(28-24-34)45(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h1-32H
InChIKeyQLMFCYJVAZKWQD-UHFFFAOYSA-N
XLogP12.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.81
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diphenyl-4-[2-phenyl-2-[4-[1-phenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 68997880
4-(N-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]anilino)benzaldehyde
CID 59080163
4-[(1E,3E)-1,4-diphenyl-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]-N,N-diphenylaniline
CID 59084118
5-[4-(N-(4-thiophen-2-ylphenyl)anilino)phenyl]thiophene-2-carbaldehyde
CID 72702102
1-[4-[N-(4-acetylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethanone
CID 91417911
5-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]thiophene-2-carbaldehyde
CID 139256586
4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 163788418
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
5-[7-[4-(N-phenylanilino)phenyl]-2,1,3-benzothiadiazol-4-yl]thiophene-2-carbaldehyde
CID 102398558
3-methyl-1-[4-(N-phenylanilino)phenyl]but-2-en-1-one
CID 146008386
2-[4-(N-(4-formylphenyl)anilino)phenyl]ethene-1,1,2-tricarbonitrile
CID 11793799
[4-[(Z)-2-[4-[4-(hydroxymethyl)-N-[4-(hydroxymethyl)phenyl]anilino]phenyl]-1-phenylethenyl]phenyl]methanol
CID 146521934

Frequently Asked Questions

What is the IUPAC name of 5-[2,2-bis[4-(N-phenylanilino)phenyl]ethenyl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[2,2-bis[4-(N-phenylanilino)phenyl]ethenyl]thiophene-2-carbaldehyde (CID 122216829) is 5-[2,2-bis[4-(N-phenylanilino)phenyl]ethenyl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[2,2-bis[4-(N-phenylanilino)phenyl]ethenyl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[2,2-bis[4-(N-phenylanilino)phenyl]ethenyl]thiophene-2-carbaldehyde is O=Cc1ccc(C=C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1.
What is the InChIKey of 5-[2,2-bis[4-(N-phenylanilino)phenyl]ethenyl]thiophene-2-carbaldehyde?
The InChIKey is QLMFCYJVAZKWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N2OS/c46-32-42-30-29-41(47-42)31-43(33-21-25-39(26-22-33)44(35-13-5-1-6-14-35)36-15-7-2-8-16-36)34-23-27-40(28-24-34)45(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h1-32H.
What are the key properties of 5-[2,2-bis[4-(N-phenylanilino)phenyl]ethenyl]thiophene-2-carbaldehyde?
5-[2,2-bis[4-(N-phenylanilino)phenyl]ethenyl]thiophene-2-carbaldehyde has a molecular weight of 624.81 g/mol, XLogP of 12.09, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,2-bis[4-(N-phenylanilino)phenyl]ethenyl]thiophene-2-carbaldehyde is sourced from PubChem (CID 122216829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).