4-[(E)-2-[4-(dimethylamino)phenyl]-2-tributylstannylethenyl]-N,N-dimethylaniline

C30H48N2Sn — CID 171661574

IUPAC4-[(E)-2-[4-(dimethylamino)phenyl]-2-tributylstannylethenyl]-N,N-dimethylaniline
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H21N2.3C4H9.Sn/c1-19(2)17-11-7-15(8-12-17)5-6-16-9-13-18(14-10-16)20(3)4;3*1-3-4-2;/h5,7-14H,1-4H3;3*1,3-4H2,2H3;
InChIKeyOEYWJGGQMBUSLC-UHFFFAOYSA-N
MW555.44 g/mol
LogP8.75
Rot. Bonds14

About 4-[(E)-2-[4-(dimethylamino)phenyl]-2-tributylstannylethenyl]-N,N-dimethylaniline

4-[(E)-2-[4-(dimethylamino)phenyl]-2-tributylstannylethenyl]-N,N-dimethylaniline (PubChem CID 171661574) has the molecular formula C30H48N2Sn and a molecular weight of 555.44 g/mol. Its IUPAC name is 4-[(E)-2-[4-(dimethylamino)phenyl]-2-tributylstannylethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-2-[4-(dimethylamino)phenyl]-2-tributylstannylethenyl]-N,N-dimethylaniline
PubChem CID171661574
Molecular FormulaC30H48N2Sn
Molecular Weight555.44 g/mol
Exact Mass556.28
IUPAC Name4-[(E)-2-[4-(dimethylamino)phenyl]-2-tributylstannylethenyl]-N,N-dimethylaniline
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H21N2.3C4H9.Sn/c1-19(2)17-11-7-15(8-12-17)5-6-16-9-13-18(14-10-16)20(3)4;3*1-3-4-2;/h5,7-14H,1-4H3;3*1,3-4H2,2H3;
InChIKeyOEYWJGGQMBUSLC-UHFFFAOYSA-N
XLogP8.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.44
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

tributyl-[(E)-1,2-dinaphthalen-2-ylethenyl]stannane
CID 170459763
[2-[(E)-2-phenyl-1-tributylstannylethenyl]phenyl]methanol
CID 12026187
2-[[4-(dimethylamino)phenyl]methylidene]butanoic acid
CID 74251589
2-[[4-(dimethylamino)phenyl]methylidene]-4-ethyloctanoic acid
CID 70467446
ethyl 2-[[4-(dimethylamino)phenyl]methylidene]hexanoate
CID 141175136
N,N-dimethyl-4-[2-(1-pentylpyridin-1-ium-4-yl)ethenyl]aniline
CID 76565847
4-[N-butyl-C-[4-(dimethylamino)phenyl]carbonimidoyl]-N,N-dimethylaniline
CID 89258553
tributyl-[(E)-1-fluoro-2-phenylethenyl]stannane
CID 10862504
4-[(E)-hept-1-enyl]-N,N-dimethylaniline
CID 101050911
N,N-dimethyl-4-[(E)-2-(1-tetracosylpyridin-1-ium-4-yl)ethenyl]aniline
CID 177488015
4-[2-(1-hexadecylpyridin-1-ium-4-yl)ethenyl]-N,N-dimethylaniline
CID 4166459
4-(3-chloro-2-methylprop-1-enyl)-N,N-dimethylaniline
CID 79322317

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-(dimethylamino)phenyl]-2-tributylstannylethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-2-[4-(dimethylamino)phenyl]-2-tributylstannylethenyl]-N,N-dimethylaniline (CID 171661574) is 4-[(E)-2-[4-(dimethylamino)phenyl]-2-tributylstannylethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-2-[4-(dimethylamino)phenyl]-2-tributylstannylethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-2-[4-(dimethylamino)phenyl]-2-tributylstannylethenyl]-N,N-dimethylaniline is CCCC[Sn](CCCC)(CCCC)/C(=C/c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[(E)-2-[4-(dimethylamino)phenyl]-2-tributylstannylethenyl]-N,N-dimethylaniline?
The InChIKey is OEYWJGGQMBUSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N2.3C4H9.Sn/c1-19(2)17-11-7-15(8-12-17)5-6-16-9-13-18(14-10-16)20(3)4;3*1-3-4-2;/h5,7-14H,1-4H3;3*1,3-4H2,2H3;.
What are the key properties of 4-[(E)-2-[4-(dimethylamino)phenyl]-2-tributylstannylethenyl]-N,N-dimethylaniline?
4-[(E)-2-[4-(dimethylamino)phenyl]-2-tributylstannylethenyl]-N,N-dimethylaniline has a molecular weight of 555.44 g/mol, XLogP of 8.75, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-(dimethylamino)phenyl]-2-tributylstannylethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 171661574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).