N,N-diphenyl-4-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethyl]aniline

C46H38N2 — CID 76639574

IUPACN,N-diphenyl-4-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethyl]aniline
SMILESC(=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(CCc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C46H38N2/c1-5-13-41(14-6-1)47(42-15-7-2-8-16-42)45-33-29-39(30-34-45)27-25-37-21-23-38(24-22-37)26-28-40-31-35-46(36-32-40)48(43-17-9-3-10-18-43)44-19-11-4-12-20-44/h1-25,27,29-36H,26,28H2
InChIKeyULYMBCAACCKQJC-UHFFFAOYSA-N
MW618.82 g/mol
LogP12.58
Rot. Bonds11

About N,N-diphenyl-4-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethyl]aniline

N,N-diphenyl-4-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethyl]aniline (PubChem CID 76639574) has the molecular formula C46H38N2 and a molecular weight of 618.82 g/mol. Its IUPAC name is N,N-diphenyl-4-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethyl]aniline
PubChem CID76639574
Molecular FormulaC46H38N2
Molecular Weight618.82 g/mol
Exact Mass618.30
IUPAC NameN,N-diphenyl-4-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethyl]aniline
SMILESC(=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(CCc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C46H38N2/c1-5-13-41(14-6-1)47(42-15-7-2-8-16-42)45-33-29-39(30-34-45)27-25-37-21-23-38(24-22-37)26-28-40-31-35-46(36-32-40)48(43-17-9-3-10-18-43)44-19-11-4-12-20-44/h1-25,27,29-36H,26,28H2
InChIKeyULYMBCAACCKQJC-UHFFFAOYSA-N
XLogP12.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.82
LogP ≤ 512.58
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

N-phenyl-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]-4-(2-phenylethyl)aniline
CID 59987784
4-butyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-butylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 22900144
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 177478696
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
4-ethyl-N-[4-[(E)-2-[4-(N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline
CID 59722336
4-benzyl-N-[4-[2-[4-[2-[4-(N-(4-benzylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 59922719
N-(4-ethenylphenyl)-4-[2-[4-(N-(4-ethenylphenyl)anilino)phenyl]ethyl]-N-phenylaniline
CID 89417368
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
4-pentyl-N,N-bis[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]aniline
CID 134259379
1-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-N-[4-(2-phenylethenyl)phenyl]-4-N-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 59048165
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-4-[(E)-2-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]ethenyl]aniline
CID 59533083

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethyl]aniline?
The IUPAC name of N,N-diphenyl-4-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethyl]aniline (CID 76639574) is N,N-diphenyl-4-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethyl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethyl]aniline?
The canonical SMILES for N,N-diphenyl-4-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethyl]aniline is C(=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(CCc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethyl]aniline?
The InChIKey is ULYMBCAACCKQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38N2/c1-5-13-41(14-6-1)47(42-15-7-2-8-16-42)45-33-29-39(30-34-45)27-25-37-21-23-38(24-22-37)26-28-40-31-35-46(36-32-40)48(43-17-9-3-10-18-43)44-19-11-4-12-20-44/h1-25,27,29-36H,26,28H2.
What are the key properties of N,N-diphenyl-4-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethyl]aniline?
N,N-diphenyl-4-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethyl]aniline has a molecular weight of 618.82 g/mol, XLogP of 12.58, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethyl]aniline is sourced from PubChem (CID 76639574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).