2,3-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline

C22H25N — CID 173357253

IUPAC2,3-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline
SMILESCCc1c(N)ccc(C=CC=CC=Cc2ccccc2)c1CC
InChIInChI=1S/C22H25N/c1-3-20-19(16-17-22(23)21(20)4-2)15-11-6-5-8-12-18-13-9-7-10-14-18/h5-17H,3-4,23H2,1-2H3
InChIKeyWVRLTEOMRIMVHV-UHFFFAOYSA-N
MW303.45 g/mol
LogP5.68
Rot. Bonds6

About 2,3-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline

2,3-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline (PubChem CID 173357253) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is 2,3-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline.

Molecular Properties

Compound Name2,3-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline
PubChem CID173357253
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC Name2,3-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline
SMILESCCc1c(N)ccc(C=CC=CC=Cc2ccccc2)c1CC
InChIInChI=1S/C22H25N/c1-3-20-19(16-17-22(23)21(20)4-2)15-11-6-5-8-12-18-13-9-7-10-14-18/h5-17H,3-4,23H2,1-2H3
InChIKeyWVRLTEOMRIMVHV-UHFFFAOYSA-N
XLogP5.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-diethyl-4-(3-xanthen-9-ylideneprop-1-enyl)aniline
CID 173396060
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
2,3-diethyl-6-(2-phenylethenyl)aniline
CID 70441795
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
bis(1,2-bis[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene);tetrakis(palladium);tetratetrafluoroborate
CID 53491375
[(3Z)-octa-1,3-dienyl]benzene
CID 154692518
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
1-ethyl-2-[(Z)-2-phenylethenyl]benzene
CID 142017215
4-phenylbuta-1,3-dienylbenzene;bis(tripropylphosphane)
CID 173264936
N,N-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline
CID 173357254
(4E,6E)-3-ethyl-7-phenylhepta-4,6-dien-3-amine
CID 10608725

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline?
The IUPAC name of 2,3-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline (CID 173357253) is 2,3-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline.
What is the SMILES notation for 2,3-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline?
The canonical SMILES for 2,3-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline is CCc1c(N)ccc(C=CC=CC=Cc2ccccc2)c1CC.
What is the InChIKey of 2,3-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline?
The InChIKey is WVRLTEOMRIMVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N/c1-3-20-19(16-17-22(23)21(20)4-2)15-11-6-5-8-12-18-13-9-7-10-14-18/h5-17H,3-4,23H2,1-2H3.
What are the key properties of 2,3-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline?
2,3-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline has a molecular weight of 303.45 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline is sourced from PubChem (CID 173357253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).