2,6-bis[(E)-2-[4-(4-methoxy-N-naphthalen-1-ylanilino)phenyl]ethenyl]naphthalene-1-carbonitrile

C61H45N3O2 — CID 18338876

IUPAC2,6-bis[(E)-2-[4-(4-methoxy-N-naphthalen-1-ylanilino)phenyl]ethenyl]naphthalene-1-carbonitrile
SMILESCOc1ccc(N(c2ccc(/C=C/c3ccc4c(C#N)c(/C=C/c5ccc(N(c6ccc(OC)cc6)c6cccc7ccccc67)cc5)ccc4c3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C61H45N3O2/c1-65-54-36-32-52(33-37-54)63(60-15-7-11-46-9-3-5-13-57(46)60)50-28-20-43(21-29-50)17-18-45-24-40-56-49(41-45)27-26-48(59(56)42-62)25-19-44-22-30-51(31-23-44)64(53-34-38-55(66-2)39-35-53)61-16-8-12-47-10-4-6-14-58(47)61/h3-41H,1-2H3/b18-17+,25-19+
InChIKeyXJCVRUIYYJUQLP-BRDMOXESSA-N
MW852.05 g/mol
LogP16.32
Rot. Bonds12

About 2,6-bis[(E)-2-[4-(4-methoxy-N-naphthalen-1-ylanilino)phenyl]ethenyl]naphthalene-1-carbonitrile

2,6-bis[(E)-2-[4-(4-methoxy-N-naphthalen-1-ylanilino)phenyl]ethenyl]naphthalene-1-carbonitrile (PubChem CID 18338876) has the molecular formula C61H45N3O2 and a molecular weight of 852.05 g/mol. Its IUPAC name is 2,6-bis[(E)-2-[4-(4-methoxy-N-naphthalen-1-ylanilino)phenyl]ethenyl]naphthalene-1-carbonitrile.

Molecular Properties

Compound Name2,6-bis[(E)-2-[4-(4-methoxy-N-naphthalen-1-ylanilino)phenyl]ethenyl]naphthalene-1-carbonitrile
PubChem CID18338876
Molecular FormulaC61H45N3O2
Molecular Weight852.05 g/mol
Exact Mass851.35
IUPAC Name2,6-bis[(E)-2-[4-(4-methoxy-N-naphthalen-1-ylanilino)phenyl]ethenyl]naphthalene-1-carbonitrile
SMILESCOc1ccc(N(c2ccc(/C=C/c3ccc4c(C#N)c(/C=C/c5ccc(N(c6ccc(OC)cc6)c6cccc7ccccc67)cc5)ccc4c3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C61H45N3O2/c1-65-54-36-32-52(33-37-54)63(60-15-7-11-46-9-3-5-13-57(46)60)50-28-20-43(21-29-50)17-18-45-24-40-56-49(41-45)27-26-48(59(56)42-62)25-19-44-22-30-51(31-23-44)64(53-34-38-55(66-2)39-35-53)61-16-8-12-47-10-4-6-14-58(47)61/h3-41H,1-2H3/b18-17+,25-19+
InChIKeyXJCVRUIYYJUQLP-BRDMOXESSA-N
XLogP16.32
TPSA48.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.05
LogP ≤ 516.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,6-bis[(E)-2-[4-(4-methoxy-N-naphthalen-1-ylanilino)phenyl]ethenyl]naphthalene-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-bis[(E)-2-[4-(4-methoxy-N-naphthalen-1-ylanilino)phenyl]ethenyl]anthracene-9-carbonitrile
CID 23576507
2,6-bis[2-[4-(4-methoxy-N-naphthalen-1-ylanilino)phenyl]ethenyl]anthracene-9,10-dicarbonitrile
CID 89372318
2,6-bis[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]anthracene-9-carbonitrile
CID 23576500
2,6-bis[(E)-2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]naphthalene-1,5-dicarbonitrile
CID 11297254
4-isocyano-2,5-bis[2-[4-(4-methoxy-N-naphthalen-1-ylanilino)phenyl]ethenyl]benzonitrile
CID 74010438
2,6-bis[2-[4-(diethylamino)phenyl]ethenyl]naphthalene-1-carbonitrile;2,6-bis[2-[4-[4-methoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]naphthalene-1-carbonitrile;2,6-bis[2-[4-[4-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]ethenyl]naphthalene-1-carbonitrile;N-[4-[2-[5-bromo-6-[2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-4-methyl-N-phenylaniline
CID 159942973
2-[2-[4-(N-[4-(hydroxymethyl)phenyl]anilino)phenyl]ethenyl]-6-[2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]naphthalene-1,5-dicarbonitrile
CID 77422928
N-naphthalen-1-yl-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]-N-phenylnaphthalen-2-amine
CID 59270592
N-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 20801917
5-isocyano-2,6-bis[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]naphthalene-1-carbonitrile
CID 18338881
N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]ethenyl]-N-phenylnaphthalen-2-amine
CID 58870889
10-isocyano-3-[(E)-2-[4-(4-methyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]anthracene-9-carbonitrile
CID 20801884

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[(E)-2-[4-(4-methoxy-N-naphthalen-1-ylanilino)phenyl]ethenyl]naphthalene-1-carbonitrile?
The IUPAC name of 2,6-bis[(E)-2-[4-(4-methoxy-N-naphthalen-1-ylanilino)phenyl]ethenyl]naphthalene-1-carbonitrile (CID 18338876) is 2,6-bis[(E)-2-[4-(4-methoxy-N-naphthalen-1-ylanilino)phenyl]ethenyl]naphthalene-1-carbonitrile.
What is the SMILES notation for 2,6-bis[(E)-2-[4-(4-methoxy-N-naphthalen-1-ylanilino)phenyl]ethenyl]naphthalene-1-carbonitrile?
The canonical SMILES for 2,6-bis[(E)-2-[4-(4-methoxy-N-naphthalen-1-ylanilino)phenyl]ethenyl]naphthalene-1-carbonitrile is COc1ccc(N(c2ccc(/C=C/c3ccc4c(C#N)c(/C=C/c5ccc(N(c6ccc(OC)cc6)c6cccc7ccccc67)cc5)ccc4c3)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of 2,6-bis[(E)-2-[4-(4-methoxy-N-naphthalen-1-ylanilino)phenyl]ethenyl]naphthalene-1-carbonitrile?
The InChIKey is XJCVRUIYYJUQLP-BRDMOXESSA-N. The full InChI is InChI=1S/C61H45N3O2/c1-65-54-36-32-52(33-37-54)63(60-15-7-11-46-9-3-5-13-57(46)60)50-28-20-43(21-29-50)17-18-45-24-40-56-49(41-45)27-26-48(59(56)42-62)25-19-44-22-30-51(31-23-44)64(53-34-38-55(66-2)39-35-53)61-16-8-12-47-10-4-6-14-58(47)61/h3-41H,1-2H3/b18-17+,25-19+.
What are the key properties of 2,6-bis[(E)-2-[4-(4-methoxy-N-naphthalen-1-ylanilino)phenyl]ethenyl]naphthalene-1-carbonitrile?
2,6-bis[(E)-2-[4-(4-methoxy-N-naphthalen-1-ylanilino)phenyl]ethenyl]naphthalene-1-carbonitrile has a molecular weight of 852.05 g/mol, XLogP of 16.32, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[(E)-2-[4-(4-methoxy-N-naphthalen-1-ylanilino)phenyl]ethenyl]naphthalene-1-carbonitrile is sourced from PubChem (CID 18338876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).