tetracene-2,3-diamine

C18H14N2 — CID 101108854

IUPACtetracene-2,3-diamine
SMILESNc1cc2cc3cc4ccccc4cc3cc2cc1N
InChIInChI=1S/C18H14N2/c19-17-9-15-7-13-5-11-3-1-2-4-12(11)6-14(13)8-16(15)10-18(17)20/h1-10H,19-20H2
InChIKeyYFJZNWYBAKRYHV-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.31
Rot. Bonds

About tetracene-2,3-diamine

tetracene-2,3-diamine (PubChem CID 101108854) has the molecular formula C18H14N2 and a molecular weight of 258.32 g/mol. Its IUPAC name is tetracene-2,3-diamine.

Molecular Properties

Compound Nametetracene-2,3-diamine
PubChem CID101108854
Molecular FormulaC18H14N2
Molecular Weight258.32 g/mol
Exact Mass258.12
IUPAC Nametetracene-2,3-diamine
SMILESNc1cc2cc3cc4ccccc4cc3cc2cc1N
InChIInChI=1S/C18H14N2/c19-17-9-15-7-13-5-11-3-1-2-4-12(11)6-14(13)8-16(15)10-18(17)20/h1-10H,19-20H2
InChIKeyYFJZNWYBAKRYHV-UHFFFAOYSA-N
XLogP4.31
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze tetracene-2,3-diamine 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 tetracene-2,3-diamine?
The IUPAC name of tetracene-2,3-diamine (CID 101108854) is tetracene-2,3-diamine.
What is the SMILES notation for tetracene-2,3-diamine?
The canonical SMILES for tetracene-2,3-diamine is Nc1cc2cc3cc4ccccc4cc3cc2cc1N.
What is the InChIKey of tetracene-2,3-diamine?
The InChIKey is YFJZNWYBAKRYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2/c19-17-9-15-7-13-5-11-3-1-2-4-12(11)6-14(13)8-16(15)10-18(17)20/h1-10H,19-20H2.
What are the key properties of tetracene-2,3-diamine?
tetracene-2,3-diamine has a molecular weight of 258.32 g/mol, XLogP of 4.31, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetracene-2,3-diamine is sourced from PubChem (CID 101108854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).