triphenylen-1-amine

C18H13N — CID 11139339

IUPACtriphenylen-1-amine
SMILESNc1cccc2c3ccccc3c3ccccc3c12
InChIInChI=1S/C18H13N/c19-17-11-5-10-16-14-7-2-1-6-12(14)13-8-3-4-9-15(13)18(16)17/h1-11H,19H2
InChIKeyWEHQTWMFKLIGEJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP4.73
Rot. Bonds

About triphenylen-1-amine

triphenylen-1-amine (PubChem CID 11139339) has the molecular formula C18H13N and a molecular weight of 243.31 g/mol. Its IUPAC name is triphenylen-1-amine.

Molecular Properties

Compound Nametriphenylen-1-amine
PubChem CID11139339
Molecular FormulaC18H13N
Molecular Weight243.31 g/mol
Exact Mass243.10
IUPAC Nametriphenylen-1-amine
SMILESNc1cccc2c3ccccc3c3ccccc3c12
InChIInChI=1S/C18H13N/c19-17-11-5-10-16-14-7-2-1-6-12(14)13-8-3-4-9-15(13)18(16)17/h1-11H,19H2
InChIKeyWEHQTWMFKLIGEJ-UHFFFAOYSA-N
XLogP4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze triphenylen-1-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 triphenylen-1-amine?
The IUPAC name of triphenylen-1-amine (CID 11139339) is triphenylen-1-amine.
What is the SMILES notation for triphenylen-1-amine?
The canonical SMILES for triphenylen-1-amine is Nc1cccc2c3ccccc3c3ccccc3c12.
What is the InChIKey of triphenylen-1-amine?
The InChIKey is WEHQTWMFKLIGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N/c19-17-11-5-10-16-14-7-2-1-6-12(14)13-8-3-4-9-15(13)18(16)17/h1-11H,19H2.
What are the key properties of triphenylen-1-amine?
triphenylen-1-amine has a molecular weight of 243.31 g/mol, XLogP of 4.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenylen-1-amine is sourced from PubChem (CID 11139339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).