N,N-diphenyl-4-[(1E,3E)-4-[2-[(1E,3E)-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline

C50H40N2 — CID 153296835

IUPACN,N-diphenyl-4-[(1E,3E)-4-[2-[(1E,3E)-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline
SMILESC(/C=C/c1ccccc1/C=C/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C50H40N2/c1-5-25-45(26-6-1)51(46-27-7-2-8-28-46)49-37-33-41(34-38-49)19-13-15-21-43-23-17-18-24-44(43)22-16-14-20-42-35-39-50(40-36-42)52(47-29-9-3-10-30-47)48-31-11-4-12-32-48/h1-40H/b19-13+,20-14+,21-15+,22-16+
InChIKeyMWYVWQNPCRVPPI-CAADRGHMSA-N
MW668.88 g/mol
LogP14.08
Rot. Bonds12

About N,N-diphenyl-4-[(1E,3E)-4-[2-[(1E,3E)-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline

N,N-diphenyl-4-[(1E,3E)-4-[2-[(1E,3E)-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline (PubChem CID 153296835) has the molecular formula C50H40N2 and a molecular weight of 668.88 g/mol. Its IUPAC name is N,N-diphenyl-4-[(1E,3E)-4-[2-[(1E,3E)-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[(1E,3E)-4-[2-[(1E,3E)-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline
PubChem CID153296835
Molecular FormulaC50H40N2
Molecular Weight668.88 g/mol
Exact Mass668.32
IUPAC NameN,N-diphenyl-4-[(1E,3E)-4-[2-[(1E,3E)-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline
SMILESC(/C=C/c1ccccc1/C=C/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C50H40N2/c1-5-25-45(26-6-1)51(46-27-7-2-8-28-46)49-37-33-41(34-38-49)19-13-15-21-43-23-17-18-24-44(43)22-16-14-20-42-35-39-50(40-36-42)52(47-29-9-3-10-30-47)48-31-11-4-12-32-48/h1-40H/b19-13+,20-14+,21-15+,22-16+
InChIKeyMWYVWQNPCRVPPI-CAADRGHMSA-N
XLogP14.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.88
LogP ≤ 514.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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-[(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
1-N,4-N-diphenyl-1-N,4-N-bis[4-[(1E,3E)-4-(2,4,5-trifluorophenyl)buta-1,3-dienyl]phenyl]benzene-1,4-diamine
CID 59751557
4-methyl-N-(4-methylphenyl)-N-[4-[2-[2-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline
CID 59920498
4-[N-(4-hydroxyphenyl)-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]anilino]phenol
CID 59460181
4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-phenylaniline
CID 23371223
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
N,N-diphenyl-2-[2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 161451306
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]ethenyl]aniline
CID 22089651
N,N-diphenyl-4-[(1E,3E)-4-phenylpenta-1,3-dienyl]aniline
CID 23547422

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[(1E,3E)-4-[2-[(1E,3E)-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline?
The IUPAC name of N,N-diphenyl-4-[(1E,3E)-4-[2-[(1E,3E)-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline (CID 153296835) is N,N-diphenyl-4-[(1E,3E)-4-[2-[(1E,3E)-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[(1E,3E)-4-[2-[(1E,3E)-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline?
The canonical SMILES for N,N-diphenyl-4-[(1E,3E)-4-[2-[(1E,3E)-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline is C(/C=C/c1ccccc1/C=C/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[(1E,3E)-4-[2-[(1E,3E)-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline?
The InChIKey is MWYVWQNPCRVPPI-CAADRGHMSA-N. The full InChI is InChI=1S/C50H40N2/c1-5-25-45(26-6-1)51(46-27-7-2-8-28-46)49-37-33-41(34-38-49)19-13-15-21-43-23-17-18-24-44(43)22-16-14-20-42-35-39-50(40-36-42)52(47-29-9-3-10-30-47)48-31-11-4-12-32-48/h1-40H/b19-13+,20-14+,21-15+,22-16+.
What are the key properties of N,N-diphenyl-4-[(1E,3E)-4-[2-[(1E,3E)-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline?
N,N-diphenyl-4-[(1E,3E)-4-[2-[(1E,3E)-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline has a molecular weight of 668.88 g/mol, XLogP of 14.08, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[(1E,3E)-4-[2-[(1E,3E)-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline is sourced from PubChem (CID 153296835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).