N-[4-[(3E)-hexa-3,5-dienyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

C26H27N — CID 88855641

IUPACN-[4-[(3E)-hexa-3,5-dienyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESC=C/C=C/CCc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H27N/c1-4-5-6-7-8-23-13-19-26(20-14-23)27(24-15-9-21(2)10-16-24)25-17-11-22(3)12-18-25/h4-6,9-20H,1,7-8H2,2-3H3/b6-5+
InChIKeyGXANKFIDJYBRQS-AATRIKPKSA-N
MW353.51 g/mol
LogP7.45
Rot. Bonds7

About N-[4-[(3E)-hexa-3,5-dienyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

N-[4-[(3E)-hexa-3,5-dienyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 88855641) has the molecular formula C26H27N and a molecular weight of 353.51 g/mol. Its IUPAC name is N-[4-[(3E)-hexa-3,5-dienyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[(3E)-hexa-3,5-dienyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
PubChem CID88855641
Molecular FormulaC26H27N
Molecular Weight353.51 g/mol
Exact Mass353.21
IUPAC NameN-[4-[(3E)-hexa-3,5-dienyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESC=C/C=C/CCc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H27N/c1-4-5-6-7-8-23-13-19-26(20-14-23)27(24-15-9-21(2)10-16-24)25-17-11-22(3)12-18-25/h4-6,9-20H,1,7-8H2,2-3H3/b6-5+
InChIKeyGXANKFIDJYBRQS-AATRIKPKSA-N
XLogP7.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 57.45
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

1-hexa-3,5-dienyl-3,5-dimethylbenzene
CID 173174881
4-[(3Z)-hexa-3,5-dienyl]benzaldehyde
CID 88908789
ethane;3-[(3E)-hexa-3,5-dienyl]-N,N-diphenylaniline;4-[(3E)-hexa-3,5-dienyl]-N,N-diphenylaniline;9-[4-[(3E)-hexa-3,5-dienyl]phenyl]carbazole
CID 163448918
N-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]-N-[4-[2-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]ethyl]phenyl]-4-methylaniline
CID 59105713
4-N-(4-butylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(4-propylphenyl)benzene-1,4-diamine
CID 163431487
4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 58789445
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(4-octylphenyl)benzene-1,4-diamine
CID 58273977
4-methyl-N-[4-(2-methylidenebut-3-enyl)phenyl]-N-(4-methylphenyl)aniline
CID 59728644
ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 145303596
4-N-[4-(2,5-dihexyl-4-methylphenyl)phenyl]-1-N,4-N-bis[3-[(4E)-hepta-4,6-dienyl]phenyl]-1-N-(4-methylphenyl)benzene-1,4-diamine
CID 58282093
6-[4-(N-[4-(6-hydroxyhexyl)phenyl]-4-methylanilino)phenyl]hexan-1-ol
CID 20580260
but-3-enylbenzene;penta-1,4-diene;1,4-xylene
CID 145097362

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3E)-hexa-3,5-dienyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of N-[4-[(3E)-hexa-3,5-dienyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (CID 88855641) is N-[4-[(3E)-hexa-3,5-dienyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N-[4-[(3E)-hexa-3,5-dienyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-[4-[(3E)-hexa-3,5-dienyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is C=C/C=C/CCc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-[(3E)-hexa-3,5-dienyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is GXANKFIDJYBRQS-AATRIKPKSA-N. The full InChI is InChI=1S/C26H27N/c1-4-5-6-7-8-23-13-19-26(20-14-23)27(24-15-9-21(2)10-16-24)25-17-11-22(3)12-18-25/h4-6,9-20H,1,7-8H2,2-3H3/b6-5+.
What are the key properties of N-[4-[(3E)-hexa-3,5-dienyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
N-[4-[(3E)-hexa-3,5-dienyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 353.51 g/mol, XLogP of 7.45, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3E)-hexa-3,5-dienyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 88855641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).