triphenylene-1,5,9-triamine

C18H15N3 — CID 101144628

IUPACtriphenylene-1,5,9-triamine
SMILESNc1cccc2c1c1cccc(N)c1c1cccc(N)c21
InChIInChI=1S/C18H15N3/c19-13-7-1-4-10-16(13)11-5-2-9-15(21)18(11)12-6-3-8-14(20)17(10)12/h1-9H,19-21H2
InChIKeyTXQXBGIHSVUGNV-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.89
Rot. Bonds

About triphenylene-1,5,9-triamine

triphenylene-1,5,9-triamine (PubChem CID 101144628) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is triphenylene-1,5,9-triamine.

Molecular Properties

Compound Nametriphenylene-1,5,9-triamine
PubChem CID101144628
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Nametriphenylene-1,5,9-triamine
SMILESNc1cccc2c1c1cccc(N)c1c1cccc(N)c21
InChIInChI=1S/C18H15N3/c19-13-7-1-4-10-16(13)11-5-2-9-15(21)18(11)12-6-3-8-14(20)17(10)12/h1-9H,19-21H2
InChIKeyTXQXBGIHSVUGNV-UHFFFAOYSA-N
XLogP3.89
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triphenylene-1,5,9-triamine?
The IUPAC name of triphenylene-1,5,9-triamine (CID 101144628) is triphenylene-1,5,9-triamine.
What is the SMILES notation for triphenylene-1,5,9-triamine?
The canonical SMILES for triphenylene-1,5,9-triamine is Nc1cccc2c1c1cccc(N)c1c1cccc(N)c21.
What is the InChIKey of triphenylene-1,5,9-triamine?
The InChIKey is TXQXBGIHSVUGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c19-13-7-1-4-10-16(13)11-5-2-9-15(21)18(11)12-6-3-8-14(20)17(10)12/h1-9H,19-21H2.
What are the key properties of triphenylene-1,5,9-triamine?
triphenylene-1,5,9-triamine has a molecular weight of 273.34 g/mol, XLogP of 3.89, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triphenylene-1,5,9-triamine is sourced from PubChem (CID 101144628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).