N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-methyl-4-phenylaniline

C25H25N — CID 135243485

IUPACN-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-methyl-4-phenylaniline
SMILESC/C=C\C(=C/C)c1ccc(N(C)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H25N/c1-4-9-20(5-2)22-12-16-24(17-13-22)26(3)25-18-14-23(15-19-25)21-10-7-6-8-11-21/h4-19H,1-3H3/b9-4-,20-5+
InChIKeyVBJVEEQSUCEWRX-ZIKNAOORSA-N
MW339.48 g/mol
LogP7.10
Rot. Bonds5

About N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-methyl-4-phenylaniline

N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-methyl-4-phenylaniline (PubChem CID 135243485) has the molecular formula C25H25N and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-methyl-4-phenylaniline.

Molecular Properties

Compound NameN-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-methyl-4-phenylaniline
PubChem CID135243485
Molecular FormulaC25H25N
Molecular Weight339.48 g/mol
Exact Mass339.20
IUPAC NameN-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-methyl-4-phenylaniline
SMILESC/C=C\C(=C/C)c1ccc(N(C)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H25N/c1-4-9-20(5-2)22-12-16-24(17-13-22)26(3)25-18-14-23(15-19-25)21-10-7-6-8-11-21/h4-19H,1-3H3/b9-4-,20-5+
InChIKeyVBJVEEQSUCEWRX-ZIKNAOORSA-N
XLogP7.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 57.10
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

ethane;N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145390494
N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
CID 157333767
N-(4-hexa-2,4-dien-3-ylphenyl)-4-(3-phenylphenyl)aniline
CID 123475710
4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenol
CID 126711831
N-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylbenzene;toluene
CID 144914532
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene;methane
CID 144938526
ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene
CID 145073107
N-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-4-methyl-N-(4-phenylphenyl)aniline
CID 143445033
N-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 143685330
ethane;1-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylbenzene
CID 165141604
[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene;N-methyl-4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 143067180
ethane;3-[(2E)-2-ethenylpenta-2,4-dienoxy]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 145470212

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-methyl-4-phenylaniline?
The IUPAC name of N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-methyl-4-phenylaniline (CID 135243485) is N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-methyl-4-phenylaniline.
What is the SMILES notation for N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-methyl-4-phenylaniline?
The canonical SMILES for N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-methyl-4-phenylaniline is C/C=C\C(=C/C)c1ccc(N(C)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-methyl-4-phenylaniline?
The InChIKey is VBJVEEQSUCEWRX-ZIKNAOORSA-N. The full InChI is InChI=1S/C25H25N/c1-4-9-20(5-2)22-12-16-24(17-13-22)26(3)25-18-14-23(15-19-25)21-10-7-6-8-11-21/h4-19H,1-3H3/b9-4-,20-5+.
What are the key properties of N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-methyl-4-phenylaniline?
N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-methyl-4-phenylaniline has a molecular weight of 339.48 g/mol, XLogP of 7.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-methyl-4-phenylaniline is sourced from PubChem (CID 135243485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).