N-[4-[(E)-2-[4-[(E)-2-[4-[N-(2,6-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,6-dimethylaniline

C78H64N2 — CID 131974098

IUPACN-[4-[(E)-2-[4-[(E)-2-[4-[N-(2,6-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,6-dimethylaniline
SMILESCc1cccc(C)c1N(c1ccc(C=C(c2ccccc2)c2ccccc2)cc1)c1ccc(/C=C/c2ccc(/C=C/c3ccc(N(c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)c4c(C)cccc4C)cc3)cc2)cc1
InChIInChI=1S/C78H64N2/c1-57-19-17-20-58(2)77(57)79(73-51-43-65(44-52-73)55-75(67-23-9-5-10-24-67)68-25-11-6-12-26-68)71-47-39-63(40-48-71)37-35-61-31-33-62(34-32-61)36-38-64-41-49-72(50-42-64)80(78-59(3)21-18-22-60(78)4)74-53-45-66(46-54-74)56-76(69-27-13-7-14-28-69)70-29-15-8-16-30-70/h5-56H,1-4H3/b37-35+,38-36+
InChIKeyLZHTUKCJJLUHPX-ATXIYDNESA-N
MW1029.38 g/mol
LogP21.38
Rot. Bonds16

About N-[4-[(E)-2-[4-[(E)-2-[4-[N-(2,6-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,6-dimethylaniline

N-[4-[(E)-2-[4-[(E)-2-[4-[N-(2,6-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,6-dimethylaniline (PubChem CID 131974098) has the molecular formula C78H64N2 and a molecular weight of 1029.38 g/mol. Its IUPAC name is N-[4-[(E)-2-[4-[(E)-2-[4-[N-(2,6-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,6-dimethylaniline.

Molecular Properties

Compound NameN-[4-[(E)-2-[4-[(E)-2-[4-[N-(2,6-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,6-dimethylaniline
PubChem CID131974098
Molecular FormulaC78H64N2
Molecular Weight1029.38 g/mol
Exact Mass1028.51
IUPAC NameN-[4-[(E)-2-[4-[(E)-2-[4-[N-(2,6-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,6-dimethylaniline
SMILESCc1cccc(C)c1N(c1ccc(C=C(c2ccccc2)c2ccccc2)cc1)c1ccc(/C=C/c2ccc(/C=C/c3ccc(N(c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)c4c(C)cccc4C)cc3)cc2)cc1
InChIInChI=1S/C78H64N2/c1-57-19-17-20-58(2)77(57)79(73-51-43-65(44-52-73)55-75(67-23-9-5-10-24-67)68-25-11-6-12-26-68)71-47-39-63(40-48-71)37-35-61-31-33-62(34-32-61)36-38-64-41-49-72(50-42-64)80(78-59(3)21-18-22-60(78)4)74-53-45-66(46-54-74)56-76(69-27-13-7-14-28-69)70-29-15-8-16-30-70/h5-56H,1-4H3/b37-35+,38-36+
InChIKeyLZHTUKCJJLUHPX-ATXIYDNESA-N
XLogP21.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001029.38
LogP ≤ 521.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-[(E)-2-[4-[(E)-2-[4-[N-(2,6-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,6-dimethylaniline with MolForge

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Related Compounds

N,N-bis[4-(2,2-diphenylethenyl)phenyl]-2,4,6-trimethylaniline
CID 71344437
N-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-(N-(2,6-dimethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,6-dimethyl-N-phenylaniline
CID 11354736
N-[4-[2-[4-[2-[4-[N-(3,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-3,4-dimethylaniline
CID 72573967
N-[4-[(E)-2-[3-[(E)-2-[4-[4-(2,2-diphenylethenyl)-N-(2-ethyl-4,6-dimethylphenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,4,6-trimethylaniline
CID 89319302
N-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-[4-[(E)-2-[2-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159829697
2-tert-butyl-N-[4-[2-[4-[2-[4-[N-(2-tert-butyl-6-methylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethyl)phenyl]-6-methylaniline
CID 72573968
4-(2,2-diphenylethenyl)-N,N-diphenylaniline;4-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]-N-phenylaniline;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-(2-phenylethenyl)aniline;ethane
CID 158855381
N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-[2-[4-[2-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-ethylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-ethylaniline
CID 72573965
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene
CID 20678091
N-[4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]ethenyl]-N-(2-ethyl-6-methylphenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-[(E)-2-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]-2-ethyl-6-methylaniline
CID 155305754
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
N,N-diphenyl-4-[2-phenyl-2-[4-[1-phenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 68997880

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-[4-[(E)-2-[4-[N-(2,6-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,6-dimethylaniline?
The IUPAC name of N-[4-[(E)-2-[4-[(E)-2-[4-[N-(2,6-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,6-dimethylaniline (CID 131974098) is N-[4-[(E)-2-[4-[(E)-2-[4-[N-(2,6-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,6-dimethylaniline.
What is the SMILES notation for N-[4-[(E)-2-[4-[(E)-2-[4-[N-(2,6-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,6-dimethylaniline?
The canonical SMILES for N-[4-[(E)-2-[4-[(E)-2-[4-[N-(2,6-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,6-dimethylaniline is Cc1cccc(C)c1N(c1ccc(C=C(c2ccccc2)c2ccccc2)cc1)c1ccc(/C=C/c2ccc(/C=C/c3ccc(N(c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)c4c(C)cccc4C)cc3)cc2)cc1.
What is the InChIKey of N-[4-[(E)-2-[4-[(E)-2-[4-[N-(2,6-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,6-dimethylaniline?
The InChIKey is LZHTUKCJJLUHPX-ATXIYDNESA-N. The full InChI is InChI=1S/C78H64N2/c1-57-19-17-20-58(2)77(57)79(73-51-43-65(44-52-73)55-75(67-23-9-5-10-24-67)68-25-11-6-12-26-68)71-47-39-63(40-48-71)37-35-61-31-33-62(34-32-61)36-38-64-41-49-72(50-42-64)80(78-59(3)21-18-22-60(78)4)74-53-45-66(46-54-74)56-76(69-27-13-7-14-28-69)70-29-15-8-16-30-70/h5-56H,1-4H3/b37-35+,38-36+.
What are the key properties of N-[4-[(E)-2-[4-[(E)-2-[4-[N-(2,6-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,6-dimethylaniline?
N-[4-[(E)-2-[4-[(E)-2-[4-[N-(2,6-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,6-dimethylaniline has a molecular weight of 1029.38 g/mol, XLogP of 21.38, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-[4-[(E)-2-[4-[N-(2,6-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,6-dimethylaniline is sourced from PubChem (CID 131974098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).