pteridino[7,6-f][1,10]phenanthroline-11,13-diamine

C16H10N8 — CID 101261268

IUPACpteridino[7,6-f][1,10]phenanthroline-11,13-diamine
SMILESNc1nc(N)c2nc3c4cccnc4c4ncccc4c3nc2n1
InChIInChI=1S/C16H10N8/c17-14-13-15(24-16(18)23-14)22-12-8-4-2-6-20-10(8)9-7(11(12)21-13)3-1-5-19-9/h1-6H,(H4,17,18,22,23,24)
InChIKeyXXFKVBZAJZDWND-UHFFFAOYSA-N
MW314.31 g/mol
LogP1.83
Rot. Bonds

About pteridino[7,6-f][1,10]phenanthroline-11,13-diamine

pteridino[7,6-f][1,10]phenanthroline-11,13-diamine (PubChem CID 101261268) has the molecular formula C16H10N8 and a molecular weight of 314.31 g/mol. Its IUPAC name is pteridino[7,6-f][1,10]phenanthroline-11,13-diamine.

Molecular Properties

Compound Namepteridino[7,6-f][1,10]phenanthroline-11,13-diamine
PubChem CID101261268
Molecular FormulaC16H10N8
Molecular Weight314.31 g/mol
Exact Mass314.10
IUPAC Namepteridino[7,6-f][1,10]phenanthroline-11,13-diamine
SMILESNc1nc(N)c2nc3c4cccnc4c4ncccc4c3nc2n1
InChIInChI=1S/C16H10N8/c17-14-13-15(24-16(18)23-14)22-12-8-4-2-6-20-10(8)9-7(11(12)21-13)3-1-5-19-9/h1-6H,(H4,17,18,22,23,24)
InChIKeyXXFKVBZAJZDWND-UHFFFAOYSA-N
XLogP1.83
TPSA129.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', '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 pteridino[7,6-f][1,10]phenanthroline-11,13-diamine?
The IUPAC name of pteridino[7,6-f][1,10]phenanthroline-11,13-diamine (CID 101261268) is pteridino[7,6-f][1,10]phenanthroline-11,13-diamine.
What is the SMILES notation for pteridino[7,6-f][1,10]phenanthroline-11,13-diamine?
The canonical SMILES for pteridino[7,6-f][1,10]phenanthroline-11,13-diamine is Nc1nc(N)c2nc3c4cccnc4c4ncccc4c3nc2n1.
What is the InChIKey of pteridino[7,6-f][1,10]phenanthroline-11,13-diamine?
The InChIKey is XXFKVBZAJZDWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N8/c17-14-13-15(24-16(18)23-14)22-12-8-4-2-6-20-10(8)9-7(11(12)21-13)3-1-5-19-9/h1-6H,(H4,17,18,22,23,24).
What are the key properties of pteridino[7,6-f][1,10]phenanthroline-11,13-diamine?
pteridino[7,6-f][1,10]phenanthroline-11,13-diamine has a molecular weight of 314.31 g/mol, XLogP of 1.83, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for pteridino[7,6-f][1,10]phenanthroline-11,13-diamine is sourced from PubChem (CID 101261268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).