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

C37H27NOS — CID 141409113

IUPAC5-[4-[2-[2-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(C=Cc3ccccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)s1
InChIInChI=1S/C37H27NOS/c39-27-35-25-26-37(40-35)31-19-16-28(17-20-31)15-18-29-9-7-8-14-36(29)30-21-23-34(24-22-30)38(32-10-3-1-4-11-32)33-12-5-2-6-13-33/h1-27H
InChIKeyRHPRGXMLHIBVBP-UHFFFAOYSA-N
MW533.70 g/mol
LogP10.53
Rot. Bonds8

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

5-[4-[2-[2-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]thiophene-2-carbaldehyde (PubChem CID 141409113) has the molecular formula C37H27NOS and a molecular weight of 533.70 g/mol. Its IUPAC name is 5-[4-[2-[2-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[4-[2-[2-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]thiophene-2-carbaldehyde
PubChem CID141409113
Molecular FormulaC37H27NOS
Molecular Weight533.70 g/mol
Exact Mass533.18
IUPAC Name5-[4-[2-[2-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(C=Cc3ccccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)s1
InChIInChI=1S/C37H27NOS/c39-27-35-25-26-37(40-35)31-19-16-28(17-20-31)15-18-29-9-7-8-14-36(29)30-21-23-34(24-22-30)38(32-10-3-1-4-11-32)33-12-5-2-6-13-33/h1-27H
InChIKeyRHPRGXMLHIBVBP-UHFFFAOYSA-N
XLogP10.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.70
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(N-(4-thiophen-2-ylphenyl)anilino)phenyl]thiophene-2-carbaldehyde
CID 72702102
5-[7-[4-(N-phenylanilino)phenyl]-2,1,3-benzothiadiazol-4-yl]thiophene-2-carbaldehyde
CID 102398558
4-methyl-N-[4-[(E)-2-[2-[2-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 67043605
9-ethyl-6-[2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]ethenyl]carbazole-3-carbaldehyde
CID 156767867
4-methyl-N-(4-methylphenyl)-N-[4-[2-[2-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline
CID 59920498
2,5-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]terephthalaldehyde
CID 44557741
N,N-diphenyl-2-[2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 161451306
N,N-diphenyl-4-[(E)-2-[5-[4-[5-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]ethenyl]aniline
CID 102516014
1-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine
CID 22983495
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-4-[(E)-2-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]ethenyl]aniline
CID 59533083
1-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-N-[4-(2-phenylethenyl)phenyl]-4-N-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 59048165
1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 164820260

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[2-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[4-[2-[2-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]thiophene-2-carbaldehyde (CID 141409113) is 5-[4-[2-[2-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[4-[2-[2-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[4-[2-[2-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]thiophene-2-carbaldehyde is O=Cc1ccc(-c2ccc(C=Cc3ccccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)s1.
What is the InChIKey of 5-[4-[2-[2-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]thiophene-2-carbaldehyde?
The InChIKey is RHPRGXMLHIBVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27NOS/c39-27-35-25-26-37(40-35)31-19-16-28(17-20-31)15-18-29-9-7-8-14-36(29)30-21-23-34(24-22-30)38(32-10-3-1-4-11-32)33-12-5-2-6-13-33/h1-27H.
What are the key properties of 5-[4-[2-[2-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]thiophene-2-carbaldehyde?
5-[4-[2-[2-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]thiophene-2-carbaldehyde has a molecular weight of 533.70 g/mol, XLogP of 10.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-[2-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]thiophene-2-carbaldehyde is sourced from PubChem (CID 141409113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).