N-[4-[2-[2-[2-[4-(N-(2-ethenylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2-ethyl-N-(4-methylphenyl)aniline

C52H46N2 — CID 59805399

IUPACN-[4-[2-[2-[2-[4-(N-(2-ethenylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2-ethyl-N-(4-methylphenyl)aniline
SMILESC=Cc1ccccc1N(c1ccc(C)cc1)c1ccc(C=Cc2ccccc2C=Cc2ccc(N(c3ccc(C)cc3)c3ccccc3CC)cc2)cc1
InChIInChI=1S/C52H46N2/c1-5-43-13-9-11-17-51(43)53(47-31-19-39(3)20-32-47)49-35-25-41(26-36-49)23-29-45-15-7-8-16-46(45)30-24-42-27-37-50(38-28-42)54(48-33-21-40(4)22-34-48)52-18-12-10-14-44(52)6-2/h5,7-38H,1,6H2,2-4H3
InChIKeyVVOYXSNTZROOJO-UHFFFAOYSA-N
MW698.95 g/mol
LogP14.79
Rot. Bonds12

About N-[4-[2-[2-[2-[4-(N-(2-ethenylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2-ethyl-N-(4-methylphenyl)aniline

N-[4-[2-[2-[2-[4-(N-(2-ethenylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2-ethyl-N-(4-methylphenyl)aniline (PubChem CID 59805399) has the molecular formula C52H46N2 and a molecular weight of 698.95 g/mol. Its IUPAC name is N-[4-[2-[2-[2-[4-(N-(2-ethenylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2-ethyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[2-[2-[2-[4-(N-(2-ethenylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2-ethyl-N-(4-methylphenyl)aniline
PubChem CID59805399
Molecular FormulaC52H46N2
Molecular Weight698.95 g/mol
Exact Mass698.37
IUPAC NameN-[4-[2-[2-[2-[4-(N-(2-ethenylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2-ethyl-N-(4-methylphenyl)aniline
SMILESC=Cc1ccccc1N(c1ccc(C)cc1)c1ccc(C=Cc2ccccc2C=Cc2ccc(N(c3ccc(C)cc3)c3ccccc3CC)cc2)cc1
InChIInChI=1S/C52H46N2/c1-5-43-13-9-11-17-51(43)53(47-31-19-39(3)20-32-47)49-35-25-41(26-36-49)23-29-45-15-7-8-16-46(45)30-24-42-27-37-50(38-28-42)54(48-33-21-40(4)22-34-48)52-18-12-10-14-44(52)6-2/h5,7-38H,1,6H2,2-4H3
InChIKeyVVOYXSNTZROOJO-UHFFFAOYSA-N
XLogP14.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.95
LogP ≤ 514.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[4-[2-[2-[2-[4-(4-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 59366113
4-methyl-N-(4-methylphenyl)-N-[4-[2-[2-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline
CID 59920498
4-methyl-N-[4-[(E)-2-[2-[2-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 67043605
N,N-diphenyl-2-[2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 161451306
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-(2-methylphenyl)ethenyl]phenyl]naphthalene-1,4-diamine
CID 67099589
N-(2,4-dimethylphenyl)-N-[4-[2-[2-[2-[4-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,4-dimethylaniline
CID 59920436
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]aniline
CID 58933310
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
2-[(E)-2-phenylethenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59705601
2-methoxy-N,N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline
CID 154951531
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
1-N,4-N-bis[4-[2-(4-methylphenyl)ethenyl]phenyl]-1-N,4-N-bis[4-(2-phenylethenyl)phenyl]naphthalene-1,4-diamine
CID 72522022

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-[2-[4-(N-(2-ethenylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2-ethyl-N-(4-methylphenyl)aniline?
The IUPAC name of N-[4-[2-[2-[2-[4-(N-(2-ethenylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2-ethyl-N-(4-methylphenyl)aniline (CID 59805399) is N-[4-[2-[2-[2-[4-(N-(2-ethenylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2-ethyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N-[4-[2-[2-[2-[4-(N-(2-ethenylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2-ethyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-[4-[2-[2-[2-[4-(N-(2-ethenylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2-ethyl-N-(4-methylphenyl)aniline is C=Cc1ccccc1N(c1ccc(C)cc1)c1ccc(C=Cc2ccccc2C=Cc2ccc(N(c3ccc(C)cc3)c3ccccc3CC)cc2)cc1.
What is the InChIKey of N-[4-[2-[2-[2-[4-(N-(2-ethenylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2-ethyl-N-(4-methylphenyl)aniline?
The InChIKey is VVOYXSNTZROOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H46N2/c1-5-43-13-9-11-17-51(43)53(47-31-19-39(3)20-32-47)49-35-25-41(26-36-49)23-29-45-15-7-8-16-46(45)30-24-42-27-37-50(38-28-42)54(48-33-21-40(4)22-34-48)52-18-12-10-14-44(52)6-2/h5,7-38H,1,6H2,2-4H3.
What are the key properties of N-[4-[2-[2-[2-[4-(N-(2-ethenylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2-ethyl-N-(4-methylphenyl)aniline?
N-[4-[2-[2-[2-[4-(N-(2-ethenylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2-ethyl-N-(4-methylphenyl)aniline has a molecular weight of 698.95 g/mol, XLogP of 14.79, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-[2-[4-(N-(2-ethenylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2-ethyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 59805399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).