3-[(1Z)-buta-1,3-dienyl]-N-[4-[(E)-2-[4-[(E)-3-[4-[[(2E,4Z)-hepta-2,4,6-trien-2-yl]-[(1E)-1-phenylbuta-1,3-dienyl]amino]phenyl]prop-2-enyl]naphthalen-1-yl]ethenyl]phenyl]-N-phenylaniline;ethane

C62H58N2 — CID 143613377

IUPAC3-[(1Z)-buta-1,3-dienyl]-N-[4-[(E)-2-[4-[(E)-3-[4-[[(2E,4Z)-hepta-2,4,6-trien-2-yl]-[(1E)-1-phenylbuta-1,3-dienyl]amino]phenyl]prop-2-enyl]naphthalen-1-yl]ethenyl]phenyl]-N-phenylaniline;ethane
SMILESC=C/C=C\C=C(/C)N(/C(=C/C=C)c1ccccc1)c1ccc(/C=C/Cc2ccc(/C=C/c3ccc(N(c4ccccc4)c4cccc(/C=C\C=C)c4)cc3)c3ccccc23)cc1.CC
InChIInChI=1S/C60H52N2.C2H6/c1-5-8-12-22-47(4)61(60(21-7-3)53-26-13-10-14-27-53)55-42-35-48(36-43-55)24-19-28-51-40-41-52(59-33-18-17-32-58(51)59)39-34-49-37-44-56(45-38-49)62(54-29-15-11-16-30-54)57-31-20-25-50(46-57)23-9-6-2;1-2/h5-27,29-46H,1-3,28H2,4H3;1-2H3/b12-8-,23-9-,24-19+,39-34+,47-22+,60-21+;
InChIKeyRZLZPJUDFTZYEM-JDTVZDHOSA-N
MW831.16 g/mol
LogP17.64
Rot. Bonds17

About 3-[(1Z)-buta-1,3-dienyl]-N-[4-[(E)-2-[4-[(E)-3-[4-[[(2E,4Z)-hepta-2,4,6-trien-2-yl]-[(1E)-1-phenylbuta-1,3-dienyl]amino]phenyl]prop-2-enyl]naphthalen-1-yl]ethenyl]phenyl]-N-phenylaniline;ethane

3-[(1Z)-buta-1,3-dienyl]-N-[4-[(E)-2-[4-[(E)-3-[4-[[(2E,4Z)-hepta-2,4,6-trien-2-yl]-[(1E)-1-phenylbuta-1,3-dienyl]amino]phenyl]prop-2-enyl]naphthalen-1-yl]ethenyl]phenyl]-N-phenylaniline;ethane (PubChem CID 143613377) has the molecular formula C62H58N2 and a molecular weight of 831.16 g/mol. Its IUPAC name is 3-[(1Z)-buta-1,3-dienyl]-N-[4-[(E)-2-[4-[(E)-3-[4-[[(2E,4Z)-hepta-2,4,6-trien-2-yl]-[(1E)-1-phenylbuta-1,3-dienyl]amino]phenyl]prop-2-enyl]naphthalen-1-yl]ethenyl]phenyl]-N-phenylaniline;ethane.

Molecular Properties

Compound Name3-[(1Z)-buta-1,3-dienyl]-N-[4-[(E)-2-[4-[(E)-3-[4-[[(2E,4Z)-hepta-2,4,6-trien-2-yl]-[(1E)-1-phenylbuta-1,3-dienyl]amino]phenyl]prop-2-enyl]naphthalen-1-yl]ethenyl]phenyl]-N-phenylaniline;ethane
PubChem CID143613377
Molecular FormulaC62H58N2
Molecular Weight831.16 g/mol
Exact Mass830.46
IUPAC Name3-[(1Z)-buta-1,3-dienyl]-N-[4-[(E)-2-[4-[(E)-3-[4-[[(2E,4Z)-hepta-2,4,6-trien-2-yl]-[(1E)-1-phenylbuta-1,3-dienyl]amino]phenyl]prop-2-enyl]naphthalen-1-yl]ethenyl]phenyl]-N-phenylaniline;ethane
SMILESC=C/C=C\C=C(/C)N(/C(=C/C=C)c1ccccc1)c1ccc(/C=C/Cc2ccc(/C=C/c3ccc(N(c4ccccc4)c4cccc(/C=C\C=C)c4)cc3)c3ccccc23)cc1.CC
InChIInChI=1S/C60H52N2.C2H6/c1-5-8-12-22-47(4)61(60(21-7-3)53-26-13-10-14-27-53)55-42-35-48(36-43-55)24-19-28-51-40-41-52(59-33-18-17-32-58(51)59)39-34-49-37-44-56(45-38-49)62(54-29-15-11-16-30-54)57-31-20-25-50(46-57)23-9-6-2;1-2/h5-27,29-46H,1-3,28H2,4H3;1-2H3/b12-8-,23-9-,24-19+,39-34+,47-22+,60-21+;
InChIKeyRZLZPJUDFTZYEM-JDTVZDHOSA-N
XLogP17.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.16
LogP ≤ 517.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(1Z)-buta-1,3-dienyl]-N-[4-[(E)-2-[4-[(E)-3-[4-[[(2E,4Z)-hepta-2,4,6-trien-2-yl]-[(1E)-1-phenylbuta-1,3-dienyl]amino]phenyl]prop-2-enyl]naphthalen-1-yl]ethenyl]phenyl]-N-phenylaniline;ethane 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

N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]ethenyl]aniline
CID 22089651
N-[4-[2-[4-(N-[3-[(1Z)-buta-1,3-dienyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 134321199
3-[2-(4-methylphenyl)ethenyl]-N-[4-[4-(N-[4-[2-(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59987783
1-N,3-N-bis(4-methylphenyl)-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]-1-N,3-N-bis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine
CID 121368155
4-[(E)-2-[4-[4-[(E)-2-(4-benzylphenyl)ethenyl]naphthalen-1-yl]naphthalen-1-yl]ethenyl]-N,N-diphenylaniline
CID 89105727
3-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-N-[3-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 118136756
N,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 14366512
1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine
CID 59745960
4-[(1E,3E)-4-phenylbuta-1,3-dienyl]-N-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-N-[4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]aniline;4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]-N,N-bis[4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]aniline
CID 159424729
N,N-diphenyl-4-[(1E,3E)-4-phenylpenta-1,3-dienyl]aniline
CID 23547422
ethane;ethene;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E)-penta-2,4-dien-2-yl]aniline;propane
CID 144687223
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]aniline
CID 118284207

Frequently Asked Questions

What is the IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-N-[4-[(E)-2-[4-[(E)-3-[4-[[(2E,4Z)-hepta-2,4,6-trien-2-yl]-[(1E)-1-phenylbuta-1,3-dienyl]amino]phenyl]prop-2-enyl]naphthalen-1-yl]ethenyl]phenyl]-N-phenylaniline;ethane?
The IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-N-[4-[(E)-2-[4-[(E)-3-[4-[[(2E,4Z)-hepta-2,4,6-trien-2-yl]-[(1E)-1-phenylbuta-1,3-dienyl]amino]phenyl]prop-2-enyl]naphthalen-1-yl]ethenyl]phenyl]-N-phenylaniline;ethane (CID 143613377) is 3-[(1Z)-buta-1,3-dienyl]-N-[4-[(E)-2-[4-[(E)-3-[4-[[(2E,4Z)-hepta-2,4,6-trien-2-yl]-[(1E)-1-phenylbuta-1,3-dienyl]amino]phenyl]prop-2-enyl]naphthalen-1-yl]ethenyl]phenyl]-N-phenylaniline;ethane.
What is the SMILES notation for 3-[(1Z)-buta-1,3-dienyl]-N-[4-[(E)-2-[4-[(E)-3-[4-[[(2E,4Z)-hepta-2,4,6-trien-2-yl]-[(1E)-1-phenylbuta-1,3-dienyl]amino]phenyl]prop-2-enyl]naphthalen-1-yl]ethenyl]phenyl]-N-phenylaniline;ethane?
The canonical SMILES for 3-[(1Z)-buta-1,3-dienyl]-N-[4-[(E)-2-[4-[(E)-3-[4-[[(2E,4Z)-hepta-2,4,6-trien-2-yl]-[(1E)-1-phenylbuta-1,3-dienyl]amino]phenyl]prop-2-enyl]naphthalen-1-yl]ethenyl]phenyl]-N-phenylaniline;ethane is C=C/C=C\C=C(/C)N(/C(=C/C=C)c1ccccc1)c1ccc(/C=C/Cc2ccc(/C=C/c3ccc(N(c4ccccc4)c4cccc(/C=C\C=C)c4)cc3)c3ccccc23)cc1.CC.
What is the InChIKey of 3-[(1Z)-buta-1,3-dienyl]-N-[4-[(E)-2-[4-[(E)-3-[4-[[(2E,4Z)-hepta-2,4,6-trien-2-yl]-[(1E)-1-phenylbuta-1,3-dienyl]amino]phenyl]prop-2-enyl]naphthalen-1-yl]ethenyl]phenyl]-N-phenylaniline;ethane?
The InChIKey is RZLZPJUDFTZYEM-JDTVZDHOSA-N. The full InChI is InChI=1S/C60H52N2.C2H6/c1-5-8-12-22-47(4)61(60(21-7-3)53-26-13-10-14-27-53)55-42-35-48(36-43-55)24-19-28-51-40-41-52(59-33-18-17-32-58(51)59)39-34-49-37-44-56(45-38-49)62(54-29-15-11-16-30-54)57-31-20-25-50(46-57)23-9-6-2;1-2/h5-27,29-46H,1-3,28H2,4H3;1-2H3/b12-8-,23-9-,24-19+,39-34+,47-22+,60-21+;.
What are the key properties of 3-[(1Z)-buta-1,3-dienyl]-N-[4-[(E)-2-[4-[(E)-3-[4-[[(2E,4Z)-hepta-2,4,6-trien-2-yl]-[(1E)-1-phenylbuta-1,3-dienyl]amino]phenyl]prop-2-enyl]naphthalen-1-yl]ethenyl]phenyl]-N-phenylaniline;ethane?
3-[(1Z)-buta-1,3-dienyl]-N-[4-[(E)-2-[4-[(E)-3-[4-[[(2E,4Z)-hepta-2,4,6-trien-2-yl]-[(1E)-1-phenylbuta-1,3-dienyl]amino]phenyl]prop-2-enyl]naphthalen-1-yl]ethenyl]phenyl]-N-phenylaniline;ethane has a molecular weight of 831.16 g/mol, XLogP of 17.64, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1Z)-buta-1,3-dienyl]-N-[4-[(E)-2-[4-[(E)-3-[4-[[(2E,4Z)-hepta-2,4,6-trien-2-yl]-[(1E)-1-phenylbuta-1,3-dienyl]amino]phenyl]prop-2-enyl]naphthalen-1-yl]ethenyl]phenyl]-N-phenylaniline;ethane is sourced from PubChem (CID 143613377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).