N,N,3-triphenyl-4-[(E)-2-thiophen-3-ylethenyl]aniline

C30H23NS — CID 20603573

IUPACN,N,3-triphenyl-4-[(E)-2-thiophen-3-ylethenyl]aniline
SMILESC(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1-c1ccccc1)\c1ccsc1
InChIInChI=1S/C30H23NS/c1-4-10-25(11-5-1)30-22-29(19-18-26(30)17-16-24-20-21-32-23-24)31(27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-23H/b17-16+
InChIKeyCHPJBQHROZMDQT-WUKNDPDISA-N
MW429.59 g/mol
LogP9.06
Rot. Bonds6

About N,N,3-triphenyl-4-[(E)-2-thiophen-3-ylethenyl]aniline

N,N,3-triphenyl-4-[(E)-2-thiophen-3-ylethenyl]aniline (PubChem CID 20603573) has the molecular formula C30H23NS and a molecular weight of 429.59 g/mol. Its IUPAC name is N,N,3-triphenyl-4-[(E)-2-thiophen-3-ylethenyl]aniline.

Molecular Properties

Compound NameN,N,3-triphenyl-4-[(E)-2-thiophen-3-ylethenyl]aniline
PubChem CID20603573
Molecular FormulaC30H23NS
Molecular Weight429.59 g/mol
Exact Mass429.16
IUPAC NameN,N,3-triphenyl-4-[(E)-2-thiophen-3-ylethenyl]aniline
SMILESC(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1-c1ccccc1)\c1ccsc1
InChIInChI=1S/C30H23NS/c1-4-10-25(11-5-1)30-22-29(19-18-26(30)17-16-24-20-21-32-23-24)31(27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-23H/b17-16+
InChIKeyCHPJBQHROZMDQT-WUKNDPDISA-N
XLogP9.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.59
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-phenyl-N-[4-[(E)-2-[4-[(E)-2-thiophen-3-ylethenyl]phenyl]ethenyl]phenyl]aniline
CID 20603571
N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381
3-methyl-N,N-diphenyl-4-(2-phenylethenyl)aniline
CID 54520687
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]ethenyl]aniline
CID 22089651
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-4-[(E)-2-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]ethenyl]aniline
CID 59533083
N-phenyl-N-(4-phenylphenyl)-4-[(E)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethenyl]aniline
CID 58715854
4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943769
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 177478696
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
2-[2-hydroxy-5-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenol
CID 175751251
2-[(E)-2-phenylethenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 59705560

Frequently Asked Questions

What is the IUPAC name of N,N,3-triphenyl-4-[(E)-2-thiophen-3-ylethenyl]aniline?
The IUPAC name of N,N,3-triphenyl-4-[(E)-2-thiophen-3-ylethenyl]aniline (CID 20603573) is N,N,3-triphenyl-4-[(E)-2-thiophen-3-ylethenyl]aniline.
What is the SMILES notation for N,N,3-triphenyl-4-[(E)-2-thiophen-3-ylethenyl]aniline?
The canonical SMILES for N,N,3-triphenyl-4-[(E)-2-thiophen-3-ylethenyl]aniline is C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1-c1ccccc1)\c1ccsc1.
What is the InChIKey of N,N,3-triphenyl-4-[(E)-2-thiophen-3-ylethenyl]aniline?
The InChIKey is CHPJBQHROZMDQT-WUKNDPDISA-N. The full InChI is InChI=1S/C30H23NS/c1-4-10-25(11-5-1)30-22-29(19-18-26(30)17-16-24-20-21-32-23-24)31(27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-23H/b17-16+.
What are the key properties of N,N,3-triphenyl-4-[(E)-2-thiophen-3-ylethenyl]aniline?
N,N,3-triphenyl-4-[(E)-2-thiophen-3-ylethenyl]aniline has a molecular weight of 429.59 g/mol, XLogP of 9.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-triphenyl-4-[(E)-2-thiophen-3-ylethenyl]aniline is sourced from PubChem (CID 20603573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).