2-chloro-N-phenyl-N-[4-[(E)-2-[4-[(E)-2-thiophen-3-ylethenyl]phenyl]ethenyl]phenyl]aniline

C32H24ClNS — CID 20603571

IUPAC2-chloro-N-phenyl-N-[4-[(E)-2-[4-[(E)-2-thiophen-3-ylethenyl]phenyl]ethenyl]phenyl]aniline
SMILESClc1ccccc1N(c1ccccc1)c1ccc(/C=C/c2ccc(/C=C/c3ccsc3)cc2)cc1
InChIInChI=1S/C32H24ClNS/c33-31-8-4-5-9-32(31)34(29-6-2-1-3-7-29)30-20-18-27(19-21-30)15-14-25-10-12-26(13-11-25)16-17-28-22-23-35-24-28/h1-24H/b15-14+,17-16+
InChIKeyDWUHVEKLIVOYTC-JLXBFWJWSA-N
MW490.07 g/mol
LogP10.21
Rot. Bonds7

About 2-chloro-N-phenyl-N-[4-[(E)-2-[4-[(E)-2-thiophen-3-ylethenyl]phenyl]ethenyl]phenyl]aniline

2-chloro-N-phenyl-N-[4-[(E)-2-[4-[(E)-2-thiophen-3-ylethenyl]phenyl]ethenyl]phenyl]aniline (PubChem CID 20603571) has the molecular formula C32H24ClNS and a molecular weight of 490.07 g/mol. Its IUPAC name is 2-chloro-N-phenyl-N-[4-[(E)-2-[4-[(E)-2-thiophen-3-ylethenyl]phenyl]ethenyl]phenyl]aniline.

Molecular Properties

Compound Name2-chloro-N-phenyl-N-[4-[(E)-2-[4-[(E)-2-thiophen-3-ylethenyl]phenyl]ethenyl]phenyl]aniline
PubChem CID20603571
Molecular FormulaC32H24ClNS
Molecular Weight490.07 g/mol
Exact Mass489.13
IUPAC Name2-chloro-N-phenyl-N-[4-[(E)-2-[4-[(E)-2-thiophen-3-ylethenyl]phenyl]ethenyl]phenyl]aniline
SMILESClc1ccccc1N(c1ccccc1)c1ccc(/C=C/c2ccc(/C=C/c3ccsc3)cc2)cc1
InChIInChI=1S/C32H24ClNS/c33-31-8-4-5-9-32(31)34(29-6-2-1-3-7-29)30-20-18-27(19-21-30)15-14-25-10-12-26(13-11-25)16-17-28-22-23-35-24-28/h1-24H/b15-14+,17-16+
InChIKeyDWUHVEKLIVOYTC-JLXBFWJWSA-N
XLogP10.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.07
LogP ≤ 510.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-phenyl-N-[4-[(E)-2-[4-[(E)-2-thiophen-3-ylethenyl]phenyl]ethenyl]phenyl]aniline?
The IUPAC name of 2-chloro-N-phenyl-N-[4-[(E)-2-[4-[(E)-2-thiophen-3-ylethenyl]phenyl]ethenyl]phenyl]aniline (CID 20603571) is 2-chloro-N-phenyl-N-[4-[(E)-2-[4-[(E)-2-thiophen-3-ylethenyl]phenyl]ethenyl]phenyl]aniline.
What is the SMILES notation for 2-chloro-N-phenyl-N-[4-[(E)-2-[4-[(E)-2-thiophen-3-ylethenyl]phenyl]ethenyl]phenyl]aniline?
The canonical SMILES for 2-chloro-N-phenyl-N-[4-[(E)-2-[4-[(E)-2-thiophen-3-ylethenyl]phenyl]ethenyl]phenyl]aniline is Clc1ccccc1N(c1ccccc1)c1ccc(/C=C/c2ccc(/C=C/c3ccsc3)cc2)cc1.
What is the InChIKey of 2-chloro-N-phenyl-N-[4-[(E)-2-[4-[(E)-2-thiophen-3-ylethenyl]phenyl]ethenyl]phenyl]aniline?
The InChIKey is DWUHVEKLIVOYTC-JLXBFWJWSA-N. The full InChI is InChI=1S/C32H24ClNS/c33-31-8-4-5-9-32(31)34(29-6-2-1-3-7-29)30-20-18-27(19-21-30)15-14-25-10-12-26(13-11-25)16-17-28-22-23-35-24-28/h1-24H/b15-14+,17-16+.
What are the key properties of 2-chloro-N-phenyl-N-[4-[(E)-2-[4-[(E)-2-thiophen-3-ylethenyl]phenyl]ethenyl]phenyl]aniline?
2-chloro-N-phenyl-N-[4-[(E)-2-[4-[(E)-2-thiophen-3-ylethenyl]phenyl]ethenyl]phenyl]aniline has a molecular weight of 490.07 g/mol, XLogP of 10.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-phenyl-N-[4-[(E)-2-[4-[(E)-2-thiophen-3-ylethenyl]phenyl]ethenyl]phenyl]aniline is sourced from PubChem (CID 20603571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).