N-[(3E,5E)-6-dibenzofuran-4-ylhexa-1,3,5-trien-3-yl]aniline

C24H19NO — CID 58536273

IUPACN-[(3E,5E)-6-dibenzofuran-4-ylhexa-1,3,5-trien-3-yl]aniline
SMILESC=C/C(=C\C=C\c1cccc2c1oc1ccccc12)Nc1ccccc1
InChIInChI=1S/C24H19NO/c1-2-19(25-20-12-4-3-5-13-20)14-8-10-18-11-9-16-22-21-15-6-7-17-23(21)26-24(18)22/h2-17,25H,1H2/b10-8+,19-14+
InChIKeyOAJWZUOOAWULSS-IWOONXLGSA-N
MW337.42 g/mol
LogP6.78
Rot. Bonds5

About N-[(3E,5E)-6-dibenzofuran-4-ylhexa-1,3,5-trien-3-yl]aniline

N-[(3E,5E)-6-dibenzofuran-4-ylhexa-1,3,5-trien-3-yl]aniline (PubChem CID 58536273) has the molecular formula C24H19NO and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(3E,5E)-6-dibenzofuran-4-ylhexa-1,3,5-trien-3-yl]aniline.

Molecular Properties

Compound NameN-[(3E,5E)-6-dibenzofuran-4-ylhexa-1,3,5-trien-3-yl]aniline
PubChem CID58536273
Molecular FormulaC24H19NO
Molecular Weight337.42 g/mol
Exact Mass337.15
IUPAC NameN-[(3E,5E)-6-dibenzofuran-4-ylhexa-1,3,5-trien-3-yl]aniline
SMILESC=C/C(=C\C=C\c1cccc2c1oc1ccccc12)Nc1ccccc1
InChIInChI=1S/C24H19NO/c1-2-19(25-20-12-4-3-5-13-20)14-8-10-18-11-9-16-22-21-15-6-7-17-23(21)26-24(18)22/h2-17,25H,1H2/b10-8+,19-14+
InChIKeyOAJWZUOOAWULSS-IWOONXLGSA-N
XLogP6.78
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.42
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3E,5E)-6-dibenzofuran-4-ylhexa-1,3,5-trien-3-yl]aniline?
The IUPAC name of N-[(3E,5E)-6-dibenzofuran-4-ylhexa-1,3,5-trien-3-yl]aniline (CID 58536273) is N-[(3E,5E)-6-dibenzofuran-4-ylhexa-1,3,5-trien-3-yl]aniline.
What is the SMILES notation for N-[(3E,5E)-6-dibenzofuran-4-ylhexa-1,3,5-trien-3-yl]aniline?
The canonical SMILES for N-[(3E,5E)-6-dibenzofuran-4-ylhexa-1,3,5-trien-3-yl]aniline is C=C/C(=C\C=C\c1cccc2c1oc1ccccc12)Nc1ccccc1.
What is the InChIKey of N-[(3E,5E)-6-dibenzofuran-4-ylhexa-1,3,5-trien-3-yl]aniline?
The InChIKey is OAJWZUOOAWULSS-IWOONXLGSA-N. The full InChI is InChI=1S/C24H19NO/c1-2-19(25-20-12-4-3-5-13-20)14-8-10-18-11-9-16-22-21-15-6-7-17-23(21)26-24(18)22/h2-17,25H,1H2/b10-8+,19-14+.
What are the key properties of N-[(3E,5E)-6-dibenzofuran-4-ylhexa-1,3,5-trien-3-yl]aniline?
N-[(3E,5E)-6-dibenzofuran-4-ylhexa-1,3,5-trien-3-yl]aniline has a molecular weight of 337.42 g/mol, XLogP of 6.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5E)-6-dibenzofuran-4-ylhexa-1,3,5-trien-3-yl]aniline is sourced from PubChem (CID 58536273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).