N-triphenylen-2-yl-1-benzofuran-3-amine

C26H17NO — CID 171751242

IUPACN-triphenylen-2-yl-1-benzofuran-3-amine
SMILESc1ccc2c(Nc3ccc4c5ccccc5c5ccccc5c4c3)coc2c1
InChIInChI=1S/C26H17NO/c1-2-9-20-18(7-1)19-8-3-4-10-21(19)24-15-17(13-14-22(20)24)27-25-16-28-26-12-6-5-11-23(25)26/h1-16,27H
InChIKeyCZGOZWGCDQBWBH-UHFFFAOYSA-N
MW359.43 g/mol
LogP7.64
Rot. Bonds2

About N-triphenylen-2-yl-1-benzofuran-3-amine

N-triphenylen-2-yl-1-benzofuran-3-amine (PubChem CID 171751242) has the molecular formula C26H17NO and a molecular weight of 359.43 g/mol. Its IUPAC name is N-triphenylen-2-yl-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-triphenylen-2-yl-1-benzofuran-3-amine
PubChem CID171751242
Molecular FormulaC26H17NO
Molecular Weight359.43 g/mol
Exact Mass359.13
IUPAC NameN-triphenylen-2-yl-1-benzofuran-3-amine
SMILESc1ccc2c(Nc3ccc4c5ccccc5c5ccccc5c4c3)coc2c1
InChIInChI=1S/C26H17NO/c1-2-9-20-18(7-1)19-8-3-4-10-21(19)24-15-17(13-14-22(20)24)27-25-16-28-26-12-6-5-11-23(25)26/h1-16,27H
InChIKeyCZGOZWGCDQBWBH-UHFFFAOYSA-N
XLogP7.64
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-triphenylen-2-yl-1-benzofuran-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-triphenylen-2-yl-1-benzofuran-3-amine?
The IUPAC name of N-triphenylen-2-yl-1-benzofuran-3-amine (CID 171751242) is N-triphenylen-2-yl-1-benzofuran-3-amine.
What is the SMILES notation for N-triphenylen-2-yl-1-benzofuran-3-amine?
The canonical SMILES for N-triphenylen-2-yl-1-benzofuran-3-amine is c1ccc2c(Nc3ccc4c5ccccc5c5ccccc5c4c3)coc2c1.
What is the InChIKey of N-triphenylen-2-yl-1-benzofuran-3-amine?
The InChIKey is CZGOZWGCDQBWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17NO/c1-2-9-20-18(7-1)19-8-3-4-10-21(19)24-15-17(13-14-22(20)24)27-25-16-28-26-12-6-5-11-23(25)26/h1-16,27H.
What are the key properties of N-triphenylen-2-yl-1-benzofuran-3-amine?
N-triphenylen-2-yl-1-benzofuran-3-amine has a molecular weight of 359.43 g/mol, XLogP of 7.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-triphenylen-2-yl-1-benzofuran-3-amine is sourced from PubChem (CID 171751242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).