N,N-diphenyl-4-[(1E,3E)-4-phenylpenta-1,3-dienyl]aniline

C29H25N — CID 23547422

IUPACN,N-diphenyl-4-[(1E,3E)-4-phenylpenta-1,3-dienyl]aniline
SMILESC/C(=C\C=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C29H25N/c1-24(26-14-5-2-6-15-26)12-11-13-25-20-22-29(23-21-25)30(27-16-7-3-8-17-27)28-18-9-4-10-19-28/h2-23H,1H3/b13-11+,24-12+
InChIKeySJNRFSSGUXBJKR-YCJKTWILSA-N
MW387.53 g/mol
LogP8.27
Rot. Bonds6

About N,N-diphenyl-4-[(1E,3E)-4-phenylpenta-1,3-dienyl]aniline

N,N-diphenyl-4-[(1E,3E)-4-phenylpenta-1,3-dienyl]aniline (PubChem CID 23547422) has the molecular formula C29H25N and a molecular weight of 387.53 g/mol. Its IUPAC name is N,N-diphenyl-4-[(1E,3E)-4-phenylpenta-1,3-dienyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[(1E,3E)-4-phenylpenta-1,3-dienyl]aniline
PubChem CID23547422
Molecular FormulaC29H25N
Molecular Weight387.53 g/mol
Exact Mass387.20
IUPAC NameN,N-diphenyl-4-[(1E,3E)-4-phenylpenta-1,3-dienyl]aniline
SMILESC/C(=C\C=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C29H25N/c1-24(26-14-5-2-6-15-26)12-11-13-25-20-22-29(23-21-25)30(27-16-7-3-8-17-27)28-18-9-4-10-19-28/h2-23H,1H3/b13-11+,24-12+
InChIKeySJNRFSSGUXBJKR-YCJKTWILSA-N
XLogP8.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-phenylaniline
CID 23371223
4-(4,4-diphenylbuta-1,3-dienyl)-N,N-bis[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]aniline;ethane
CID 163992333
1-methyl-4-(4-phenylpenta-1,3-dienyl)benzene
CID 54269613
4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-[4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]phenyl]-N-phenylaniline
CID 87948616
4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N,N-diphenylaniline
CID 23069421
4-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-[4-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]phenyl]-N-phenylaniline
CID 91386727
N-[4-[2-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]-N-phenylaniline
CID 155077496
4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N,N-bis[4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]phenyl]aniline
CID 87948560
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
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-(4,4-diphenylbuta-1,3-dienyl)-N,N-bis[4-(2,2-diphenylethenyl)phenyl]aniline
CID 54461178
4-[(E)-2-[4-[(2E,4E,6E)-5-ethenyl-7-[4-(N-phenylanilino)phenyl]hepta-2,4,6-trien-2-yl]phenyl]ethenyl]-N,N-diphenylaniline
CID 118473027

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[(1E,3E)-4-phenylpenta-1,3-dienyl]aniline?
The IUPAC name of N,N-diphenyl-4-[(1E,3E)-4-phenylpenta-1,3-dienyl]aniline (CID 23547422) is N,N-diphenyl-4-[(1E,3E)-4-phenylpenta-1,3-dienyl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[(1E,3E)-4-phenylpenta-1,3-dienyl]aniline?
The canonical SMILES for N,N-diphenyl-4-[(1E,3E)-4-phenylpenta-1,3-dienyl]aniline is C/C(=C\C=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N,N-diphenyl-4-[(1E,3E)-4-phenylpenta-1,3-dienyl]aniline?
The InChIKey is SJNRFSSGUXBJKR-YCJKTWILSA-N. The full InChI is InChI=1S/C29H25N/c1-24(26-14-5-2-6-15-26)12-11-13-25-20-22-29(23-21-25)30(27-16-7-3-8-17-27)28-18-9-4-10-19-28/h2-23H,1H3/b13-11+,24-12+.
What are the key properties of N,N-diphenyl-4-[(1E,3E)-4-phenylpenta-1,3-dienyl]aniline?
N,N-diphenyl-4-[(1E,3E)-4-phenylpenta-1,3-dienyl]aniline has a molecular weight of 387.53 g/mol, XLogP of 8.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[(1E,3E)-4-phenylpenta-1,3-dienyl]aniline is sourced from PubChem (CID 23547422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).