(4-chloro-N-(1-chloro-2,2-diphenylethenyl)anilino)methylidene-dimethylazanium

C23H21Cl2N2+ — CID 134921428

IUPAC(4-chloro-N-(1-chloro-2,2-diphenylethenyl)anilino)methylidene-dimethylazanium
SMILESC[N+](C)=CN(C(Cl)=C(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H21Cl2N2/c1-26(2)17-27(21-15-13-20(24)14-16-21)23(25)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-17H,1-2H3/q+1
InChIKeyVXPVYMLLXAJLMC-UHFFFAOYSA-N
MW396.34 g/mol
LogP6.10
Rot. Bonds5

About (4-chloro-N-(1-chloro-2,2-diphenylethenyl)anilino)methylidene-dimethylazanium

(4-chloro-N-(1-chloro-2,2-diphenylethenyl)anilino)methylidene-dimethylazanium (PubChem CID 134921428) has the molecular formula C23H21Cl2N2+ and a molecular weight of 396.34 g/mol. Its IUPAC name is (4-chloro-N-(1-chloro-2,2-diphenylethenyl)anilino)methylidene-dimethylazanium.

Molecular Properties

Compound Name(4-chloro-N-(1-chloro-2,2-diphenylethenyl)anilino)methylidene-dimethylazanium
PubChem CID134921428
Molecular FormulaC23H21Cl2N2+
Molecular Weight396.34 g/mol
Exact Mass395.11
IUPAC Name(4-chloro-N-(1-chloro-2,2-diphenylethenyl)anilino)methylidene-dimethylazanium
SMILESC[N+](C)=CN(C(Cl)=C(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H21Cl2N2/c1-26(2)17-27(21-15-13-20(24)14-16-21)23(25)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-17H,1-2H3/q+1
InChIKeyVXPVYMLLXAJLMC-UHFFFAOYSA-N
XLogP6.10
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.34
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-chloro-2,2-diphenylethenyl)-N-phenylformamide
CID 71334074
4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N,N-dimethylaniline
CID 20830984
1-[(Z)-2-bromo-1,2-diphenylethenyl]-4-chlorobenzene
CID 6509575
N-(4-chlorophenyl)-N-hydroxybenzamide
CID 15217
(E)-3-(4-chlorophenyl)-1,1,2,3-tetraphenylprop-2-en-1-ol
CID 6380826
(Z)-3-(4-chlorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 20838904
chlorobenzene;methanol
CID 20549646
N-(4-chlorophenyl)-N-methyl-3-oxo-3-phenylpropanamide
CID 4255555
4-[[(4-chlorophenyl)-phenylmethylidene]amino]-N,N-dimethylaniline
CID 56850221
N-[1-(4-chlorophenyl)ethyl]-1-phenylethanimine
CID 22603743
4-chloro-N-(2-phenylbut-2-enyl)aniline
CID 123900162
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712

Frequently Asked Questions

What is the IUPAC name of (4-chloro-N-(1-chloro-2,2-diphenylethenyl)anilino)methylidene-dimethylazanium?
The IUPAC name of (4-chloro-N-(1-chloro-2,2-diphenylethenyl)anilino)methylidene-dimethylazanium (CID 134921428) is (4-chloro-N-(1-chloro-2,2-diphenylethenyl)anilino)methylidene-dimethylazanium.
What is the SMILES notation for (4-chloro-N-(1-chloro-2,2-diphenylethenyl)anilino)methylidene-dimethylazanium?
The canonical SMILES for (4-chloro-N-(1-chloro-2,2-diphenylethenyl)anilino)methylidene-dimethylazanium is C[N+](C)=CN(C(Cl)=C(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (4-chloro-N-(1-chloro-2,2-diphenylethenyl)anilino)methylidene-dimethylazanium?
The InChIKey is VXPVYMLLXAJLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N2/c1-26(2)17-27(21-15-13-20(24)14-16-21)23(25)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-17H,1-2H3/q+1.
What are the key properties of (4-chloro-N-(1-chloro-2,2-diphenylethenyl)anilino)methylidene-dimethylazanium?
(4-chloro-N-(1-chloro-2,2-diphenylethenyl)anilino)methylidene-dimethylazanium has a molecular weight of 396.34 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-N-(1-chloro-2,2-diphenylethenyl)anilino)methylidene-dimethylazanium is sourced from PubChem (CID 134921428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).