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

C81H70N2 — CID 89319302

IUPACN-[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
SMILESCCc1cc(C)cc(C)c1N(c1ccc(C=C(c2ccccc2)c2ccccc2)cc1)c1ccc(/C=C/c2cccc(/C=C/c3ccc(N(c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)c4c(C)cc(C)cc4C)cc3)c2)cc1
InChIInChI=1S/C81H70N2/c1-7-69-54-59(3)53-62(6)81(69)83(77-49-41-68(42-50-77)57-79(72-27-16-10-17-28-72)73-29-18-11-19-30-73)76-45-37-64(38-46-76)32-34-66-22-20-21-65(55-66)33-31-63-35-43-74(44-36-63)82(80-60(4)51-58(2)52-61(80)5)75-47-39-67(40-48-75)56-78(70-23-12-8-13-24-70)71-25-14-9-15-26-71/h8-57H,7H2,1-6H3/b33-31+,34-32+
InChIKeyJMTAOLSLNPBJGT-FMWAKIAMSA-N
MW1071.47 g/mol
LogP22.25
Rot. Bonds17

About 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

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 (PubChem CID 89319302) has the molecular formula C81H70N2 and a molecular weight of 1071.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID89319302
Molecular FormulaC81H70N2
Molecular Weight1071.47 g/mol
Exact Mass1070.55
IUPAC NameN-[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
SMILESCCc1cc(C)cc(C)c1N(c1ccc(C=C(c2ccccc2)c2ccccc2)cc1)c1ccc(/C=C/c2cccc(/C=C/c3ccc(N(c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)c4c(C)cc(C)cc4C)cc3)c2)cc1
InChIInChI=1S/C81H70N2/c1-7-69-54-59(3)53-62(6)81(69)83(77-49-41-68(42-50-77)57-79(72-27-16-10-17-28-72)73-29-18-11-19-30-73)76-45-37-64(38-46-76)32-34-66-22-20-21-65(55-66)33-31-63-35-43-74(44-36-63)82(80-60(4)51-58(2)52-61(80)5)75-47-39-67(40-48-75)56-78(70-23-12-8-13-24-70)71-25-14-9-15-26-71/h8-57H,7H2,1-6H3/b33-31+,34-32+
InChIKeyJMTAOLSLNPBJGT-FMWAKIAMSA-N
XLogP22.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001071.47
LogP ≤ 522.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 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-bis[4-(2,2-diphenylethenyl)phenyl]-2,4,6-trimethylaniline
CID 71344437
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
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
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-(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
N-[4-[(E)-2-[2-[(E)-2-[4-[N-(2,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,4-dimethylaniline
CID 59833991
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
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-[(E)-2-[4-[(E)-2-[4-(N-(2,4-dimethylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,4-dimethyl-N-(4-methylphenyl)aniline;N-[4-[4-[N-(2,4-dimethylphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]anilino]phenyl]phenyl]-2,4-dimethyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;N-(2,2-diphenylethenyl)-N-[4-[4-[N-(2,2-diphenylethenyl)-2,4-dimethylanilino]phenyl]phenyl]-2,4-dimethylaniline;2-ethyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(2-ethyl-6-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-6-methyl-N-phenylaniline;2-ethyl-N-[4-[4-[N-(2-ethyl-6-methylphenyl)-4-[(E)-2-phenylethenyl]anilino]phenyl]phenyl]-6-methyl-N-[4-[(E)-2-phenylethenyl]phenyl]aniline;4-methyl-N-[4-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-N-phenylaniline
CID 160974207
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
N-[4-[2-[4-[4-[2-[4-(N-(2-ethyl-6-methylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline
CID 58177556
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,5-dimethylbenzene
CID 20678111

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cc(C)cc(C)c1N(c1ccc(C=C(c2ccccc2)c2ccccc2)cc1)c1ccc(/C=C/c2cccc(/C=C/c3ccc(N(c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)c4c(C)cc(C)cc4C)cc3)c2)cc1.
What is the InChIKey of 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?
The InChIKey is JMTAOLSLNPBJGT-FMWAKIAMSA-N. The full InChI is InChI=1S/C81H70N2/c1-7-69-54-59(3)53-62(6)81(69)83(77-49-41-68(42-50-77)57-79(72-27-16-10-17-28-72)73-29-18-11-19-30-73)76-45-37-64(38-46-76)32-34-66-22-20-21-65(55-66)33-31-63-35-43-74(44-36-63)82(80-60(4)51-58(2)52-61(80)5)75-47-39-67(40-48-75)56-78(70-23-12-8-13-24-70)71-25-14-9-15-26-71/h8-57H,7H2,1-6H3/b33-31+,34-32+.
What are the key properties of 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?
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 has a molecular weight of 1071.47 g/mol, XLogP of 22.25, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 89319302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).