N-buta-1,3-dien-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine

C28H21NO — CID 123692040

IUPACN-buta-1,3-dien-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESC=CC(=C)N(c1ccc(-c2ccccc2)cc1)c1cccc2c1oc1ccccc12
InChIInChI=1S/C28H21NO/c1-3-20(2)29(23-18-16-22(17-19-23)21-10-5-4-6-11-21)26-14-9-13-25-24-12-7-8-15-27(24)30-28(25)26/h3-19H,1-2H2
InChIKeyLFDUQNZJDZRQFC-UHFFFAOYSA-N
MW387.48 g/mol
LogP8.09
Rot. Bonds5

About N-buta-1,3-dien-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine

N-buta-1,3-dien-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 123692040) has the molecular formula C28H21NO and a molecular weight of 387.48 g/mol. Its IUPAC name is N-buta-1,3-dien-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-buta-1,3-dien-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID123692040
Molecular FormulaC28H21NO
Molecular Weight387.48 g/mol
Exact Mass387.16
IUPAC NameN-buta-1,3-dien-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESC=CC(=C)N(c1ccc(-c2ccccc2)cc1)c1cccc2c1oc1ccccc12
InChIInChI=1S/C28H21NO/c1-3-20(2)29(23-18-16-22(17-19-23)21-10-5-4-6-11-21)26-14-9-13-25-24-12-7-8-15-27(24)30-28(25)26/h3-19H,1-2H2
InChIKeyLFDUQNZJDZRQFC-UHFFFAOYSA-N
XLogP8.09
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-buta-1,3-dien-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3Z)-4-(2-methylphenyl)buta-1,3-dien-2-yl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 138488760
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126744
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 121241788
N-[4-(2-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744348
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126918
7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796
N-dibenzofuran-4-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403132
N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397842
9-N,10-N-di(dibenzofuran-4-yl)-2,6-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine
CID 89254658
N-(4-phenylphenyl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139297889
N-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118369410

Frequently Asked Questions

What is the IUPAC name of N-buta-1,3-dien-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-buta-1,3-dien-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 123692040) is N-buta-1,3-dien-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-buta-1,3-dien-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-buta-1,3-dien-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine is C=CC(=C)N(c1ccc(-c2ccccc2)cc1)c1cccc2c1oc1ccccc12.
What is the InChIKey of N-buta-1,3-dien-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is LFDUQNZJDZRQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21NO/c1-3-20(2)29(23-18-16-22(17-19-23)21-10-5-4-6-11-21)26-14-9-13-25-24-12-7-8-15-27(24)30-28(25)26/h3-19H,1-2H2.
What are the key properties of N-buta-1,3-dien-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine?
N-buta-1,3-dien-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 387.48 g/mol, XLogP of 8.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-buta-1,3-dien-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 123692040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).