4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[[4-[(4-ethylphenyl)methoxy]phenyl]-phenylhydrazinylidene]methyl]phenyl]-N-phenylaniline

C51H47N3O2 — CID 59899799

IUPAC4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[[4-[(4-ethylphenyl)methoxy]phenyl]-phenylhydrazinylidene]methyl]phenyl]-N-phenylaniline
SMILESC=Cc1ccc(COCCc2ccc(N(c3ccccc3)c3ccc(C=NN(c4ccccc4)c4ccc(OCc5ccc(CC)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C51H47N3O2/c1-3-40-15-19-44(20-16-40)38-55-36-35-42-23-27-47(28-24-42)53(46-11-7-5-8-12-46)48-29-25-43(26-30-48)37-52-54(49-13-9-6-10-14-49)50-31-33-51(34-32-50)56-39-45-21-17-41(4-2)18-22-45/h3,5-34,37H,1,4,35-36,38-39H2,2H3
InChIKeyXHUBNSYNVAVWFP-UHFFFAOYSA-N
MW733.96 g/mol
LogP12.87
Rot. Bonds17

About 4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[[4-[(4-ethylphenyl)methoxy]phenyl]-phenylhydrazinylidene]methyl]phenyl]-N-phenylaniline

4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[[4-[(4-ethylphenyl)methoxy]phenyl]-phenylhydrazinylidene]methyl]phenyl]-N-phenylaniline (PubChem CID 59899799) has the molecular formula C51H47N3O2 and a molecular weight of 733.96 g/mol. Its IUPAC name is 4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[[4-[(4-ethylphenyl)methoxy]phenyl]-phenylhydrazinylidene]methyl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[[4-[(4-ethylphenyl)methoxy]phenyl]-phenylhydrazinylidene]methyl]phenyl]-N-phenylaniline
PubChem CID59899799
Molecular FormulaC51H47N3O2
Molecular Weight733.96 g/mol
Exact Mass733.37
IUPAC Name4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[[4-[(4-ethylphenyl)methoxy]phenyl]-phenylhydrazinylidene]methyl]phenyl]-N-phenylaniline
SMILESC=Cc1ccc(COCCc2ccc(N(c3ccccc3)c3ccc(C=NN(c4ccccc4)c4ccc(OCc5ccc(CC)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C51H47N3O2/c1-3-40-15-19-44(20-16-40)38-55-36-35-42-23-27-47(28-24-42)53(46-11-7-5-8-12-46)48-29-25-43(26-30-48)37-52-54(49-13-9-6-10-14-49)50-31-33-51(34-32-50)56-39-45-21-17-41(4-2)18-22-45/h3,5-34,37H,1,4,35-36,38-39H2,2H3
InChIKeyXHUBNSYNVAVWFP-UHFFFAOYSA-N
XLogP12.87
TPSA37.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.96
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[4-[4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-(4-phenylphenyl)anilino]phenyl]methoxymethyl]phenyl]-N-(4-phenylphenyl)aniline
CID 89417377
4-[2-(6-oxabicyclo[3.1.0]hexan-1-ylmethoxy)ethyl]-N-[4-[[[4-(6-oxabicyclo[3.1.0]hexan-1-ylmethoxy)phenyl]-phenylhydrazinylidene]methyl]phenyl]-N-phenylaniline
CID 59899741
N-(4-ethenylphenyl)-4-[2-[4-(N-(4-ethenylphenyl)anilino)phenyl]ethyl]-N-phenylaniline
CID 89417368
9-[4-[(4-ethenylphenyl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(4-ethenylphenyl)methoxy]phenyl]-9-(4-methoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-ethylphenyl)-N-phenylfluoren-2-amine
CID 162040719
N-[4-[(E)-2-[3-[(E)-2-[4-[N-(3,4-dimethylphenyl)-4-[2-[(4-ethenylphenyl)methoxy]ethyl]anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-[2-[(4-ethenylphenyl)methoxy]ethyl]phenyl]-3,4-dimethylaniline
CID 89419391
2,8,13,19-tetrakis[4-[4-(4-ethenylphenoxy)butoxymethyl]phenyl]-5-N,5-N,16-N,16-N-tetraphenyl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene-5,16-diamine
CID 139426851
N-[4-[(diphenylhydrazinylidene)methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 42614307
N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-N-[4-[2-[4-[4-[(4-ethenylphenyl)methoxymethyl]-N-pyren-2-ylanilino]phenyl]ethyl]phenyl]pyren-2-amine
CID 89417382
N-[4-[3-[(4-ethenylphenyl)methoxy]propyl]phenyl]-3,4-dimethyl-N-(4-phenylphenyl)aniline
CID 89419387
2-[4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoyl]oxyethyl 4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoate
CID 89417418
N-[4-[4-[(4-ethenylphenyl)methoxy]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 59306565
1-ethenyl-4-(phenylmethoxymethoxy)benzene
CID 54554930

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[[4-[(4-ethylphenyl)methoxy]phenyl]-phenylhydrazinylidene]methyl]phenyl]-N-phenylaniline?
The IUPAC name of 4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[[4-[(4-ethylphenyl)methoxy]phenyl]-phenylhydrazinylidene]methyl]phenyl]-N-phenylaniline (CID 59899799) is 4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[[4-[(4-ethylphenyl)methoxy]phenyl]-phenylhydrazinylidene]methyl]phenyl]-N-phenylaniline.
What is the SMILES notation for 4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[[4-[(4-ethylphenyl)methoxy]phenyl]-phenylhydrazinylidene]methyl]phenyl]-N-phenylaniline?
The canonical SMILES for 4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[[4-[(4-ethylphenyl)methoxy]phenyl]-phenylhydrazinylidene]methyl]phenyl]-N-phenylaniline is C=Cc1ccc(COCCc2ccc(N(c3ccccc3)c3ccc(C=NN(c4ccccc4)c4ccc(OCc5ccc(CC)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[[4-[(4-ethylphenyl)methoxy]phenyl]-phenylhydrazinylidene]methyl]phenyl]-N-phenylaniline?
The InChIKey is XHUBNSYNVAVWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H47N3O2/c1-3-40-15-19-44(20-16-40)38-55-36-35-42-23-27-47(28-24-42)53(46-11-7-5-8-12-46)48-29-25-43(26-30-48)37-52-54(49-13-9-6-10-14-49)50-31-33-51(34-32-50)56-39-45-21-17-41(4-2)18-22-45/h3,5-34,37H,1,4,35-36,38-39H2,2H3.
What are the key properties of 4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[[4-[(4-ethylphenyl)methoxy]phenyl]-phenylhydrazinylidene]methyl]phenyl]-N-phenylaniline?
4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[[4-[(4-ethylphenyl)methoxy]phenyl]-phenylhydrazinylidene]methyl]phenyl]-N-phenylaniline has a molecular weight of 733.96 g/mol, XLogP of 12.87, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[[4-[(4-ethylphenyl)methoxy]phenyl]-phenylhydrazinylidene]methyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 59899799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).