N,N-diphenyl-4-[(E)-2-[4-(pyridin-2-ylmethylideneamino)phenyl]ethenyl]aniline

C64H50N6 — CID 139092937

IUPACN,N-diphenyl-4-[(E)-2-[4-(pyridin-2-ylmethylideneamino)phenyl]ethenyl]aniline
SMILESC(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)\c1ccc(/N=C/c2ccccn2)cc1.C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)\c1ccc(/N=C/c2ccccn2)cc1
InChIInChI=1S/2C32H25N3/c2*1-3-10-30(11-4-1)35(31-12-5-2-6-13-31)32-22-18-27(19-23-32)15-14-26-16-20-28(21-17-26)34-25-29-9-7-8-24-33-29/h2*1-25H/b2*15-14+,34-25+
InChIKeyCSSRSRUZPBYDNS-GOTMYKICSA-N
MW903.15 g/mol
LogP16.94
Rot. Bonds14

About N,N-diphenyl-4-[(E)-2-[4-(pyridin-2-ylmethylideneamino)phenyl]ethenyl]aniline

N,N-diphenyl-4-[(E)-2-[4-(pyridin-2-ylmethylideneamino)phenyl]ethenyl]aniline (PubChem CID 139092937) has the molecular formula C64H50N6 and a molecular weight of 903.15 g/mol. Its IUPAC name is N,N-diphenyl-4-[(E)-2-[4-(pyridin-2-ylmethylideneamino)phenyl]ethenyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[(E)-2-[4-(pyridin-2-ylmethylideneamino)phenyl]ethenyl]aniline
PubChem CID139092937
Molecular FormulaC64H50N6
Molecular Weight903.15 g/mol
Exact Mass902.41
IUPAC NameN,N-diphenyl-4-[(E)-2-[4-(pyridin-2-ylmethylideneamino)phenyl]ethenyl]aniline
SMILESC(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)\c1ccc(/N=C/c2ccccn2)cc1.C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)\c1ccc(/N=C/c2ccccn2)cc1
InChIInChI=1S/2C32H25N3/c2*1-3-10-30(11-4-1)35(31-12-5-2-6-13-31)32-22-18-27(19-23-32)15-14-26-16-20-28(21-17-26)34-25-29-9-7-8-24-33-29/h2*1-25H/b2*15-14+,34-25+
InChIKeyCSSRSRUZPBYDNS-GOTMYKICSA-N
XLogP16.94
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.15
LogP ≤ 516.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-(4-Dimethylaminostyryl)quinoline
CID 668053
Pyridinium, 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-, iodide (1:1)
CID 5713123
BC-1215
CID 72201045
Benzylviologen
CID 14196
Pyridinium, 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-, iodide
CID 107464
2,2'-((Dihydro-2-(4-pyridinyl)-1,3(2H,4H)-pyrimidinediyl)bis(methylene))bis(N,N-dimethylbenzenamine)
CID 421610
2-(2-(4-(Diethylamino)phenyl)vinyl)-1-ethylpyridinium iodide
CID 45049277
2-(4-(Dimethylamino)styryl)pyridine
CID 5376425
4,4'-Diphenyl-2,2'-bipyridine
CID 80259
4-(4-Dimethylaminostyryl)-1-methylpyridinium
CID 730769
4-[2-(1-hexylpyridin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline iodide
CID 2824730
4-[(E)-2-(1-hexylpyridin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline iodide
CID 5716367

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[(E)-2-[4-(pyridin-2-ylmethylideneamino)phenyl]ethenyl]aniline?
The IUPAC name of N,N-diphenyl-4-[(E)-2-[4-(pyridin-2-ylmethylideneamino)phenyl]ethenyl]aniline (CID 139092937) is N,N-diphenyl-4-[(E)-2-[4-(pyridin-2-ylmethylideneamino)phenyl]ethenyl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[(E)-2-[4-(pyridin-2-ylmethylideneamino)phenyl]ethenyl]aniline?
The canonical SMILES for N,N-diphenyl-4-[(E)-2-[4-(pyridin-2-ylmethylideneamino)phenyl]ethenyl]aniline is C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)\c1ccc(/N=C/c2ccccn2)cc1.C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)\c1ccc(/N=C/c2ccccn2)cc1.
What is the InChIKey of N,N-diphenyl-4-[(E)-2-[4-(pyridin-2-ylmethylideneamino)phenyl]ethenyl]aniline?
The InChIKey is CSSRSRUZPBYDNS-GOTMYKICSA-N. The full InChI is InChI=1S/2C32H25N3/c2*1-3-10-30(11-4-1)35(31-12-5-2-6-13-31)32-22-18-27(19-23-32)15-14-26-16-20-28(21-17-26)34-25-29-9-7-8-24-33-29/h2*1-25H/b2*15-14+,34-25+.
What are the key properties of N,N-diphenyl-4-[(E)-2-[4-(pyridin-2-ylmethylideneamino)phenyl]ethenyl]aniline?
N,N-diphenyl-4-[(E)-2-[4-(pyridin-2-ylmethylideneamino)phenyl]ethenyl]aniline has a molecular weight of 903.15 g/mol, XLogP of 16.94, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[(E)-2-[4-(pyridin-2-ylmethylideneamino)phenyl]ethenyl]aniline is sourced from PubChem (CID 139092937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).