1,7-phenanthrolin-2-amine;bis(2-pyridin-2-ylpyridine)

C32H25N7 — CID 175508465

IUPAC1,7-phenanthrolin-2-amine;bis(2-pyridin-2-ylpyridine)
SMILESNc1ccc2ccc3ncccc3c2n1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C12H9N3.2C10H8N2/c13-11-6-4-8-3-5-10-9(12(8)15-11)2-1-7-14-10;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-7H,(H2,13,15);2*1-8H
InChIKeyYKZLYTOGWPJQQJ-UHFFFAOYSA-N
MW507.60 g/mol
LogP6.65
Rot. Bonds2

About 1,7-phenanthrolin-2-amine;bis(2-pyridin-2-ylpyridine)

1,7-phenanthrolin-2-amine;bis(2-pyridin-2-ylpyridine) (PubChem CID 175508465) has the molecular formula C32H25N7 and a molecular weight of 507.60 g/mol. Its IUPAC name is 1,7-phenanthrolin-2-amine;bis(2-pyridin-2-ylpyridine).

Molecular Properties

Compound Name1,7-phenanthrolin-2-amine;bis(2-pyridin-2-ylpyridine)
PubChem CID175508465
Molecular FormulaC32H25N7
Molecular Weight507.60 g/mol
Exact Mass507.22
IUPAC Name1,7-phenanthrolin-2-amine;bis(2-pyridin-2-ylpyridine)
SMILESNc1ccc2ccc3ncccc3c2n1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C12H9N3.2C10H8N2/c13-11-6-4-8-3-5-10-9(12(8)15-11)2-1-7-14-10;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-7H,(H2,13,15);2*1-8H
InChIKeyYKZLYTOGWPJQQJ-UHFFFAOYSA-N
XLogP6.65
TPSA103.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.60
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methanol;1,7-phenanthroline
CID 174496893
1,7-phenanthroline;dihydrochloride
CID 174688507
1,7-phenanthroline;vanadium
CID 174318955
3-methyl-1,7-phenanthrolin-2-amine
CID 63231728
benzo[b][1,7]phenanthrolin-10-amine
CID 10332108
bis(2-pyridin-2-ylpyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium
CID 76514831
2-(bromomethyl)-1,7-phenanthroline
CID 67733291
2-cinnolin-3-yl-1,7-phenanthroline
CID 175435696
pyrido[2,3-i][1,2]benzodiazepin-3-one
CID 67724117
6-(6-pyridin-2-ylpyridazin-3-yl)pyridin-2-amine
CID 143616941
europium(3+);1,7-phenanthroline;trinitrate
CID 174550774
1,10-phenanthroline;2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+)
CID 138986830

Frequently Asked Questions

What is the IUPAC name of 1,7-phenanthrolin-2-amine;bis(2-pyridin-2-ylpyridine)?
The IUPAC name of 1,7-phenanthrolin-2-amine;bis(2-pyridin-2-ylpyridine) (CID 175508465) is 1,7-phenanthrolin-2-amine;bis(2-pyridin-2-ylpyridine).
What is the SMILES notation for 1,7-phenanthrolin-2-amine;bis(2-pyridin-2-ylpyridine)?
The canonical SMILES for 1,7-phenanthrolin-2-amine;bis(2-pyridin-2-ylpyridine) is Nc1ccc2ccc3ncccc3c2n1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 1,7-phenanthrolin-2-amine;bis(2-pyridin-2-ylpyridine)?
The InChIKey is YKZLYTOGWPJQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3.2C10H8N2/c13-11-6-4-8-3-5-10-9(12(8)15-11)2-1-7-14-10;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-7H,(H2,13,15);2*1-8H.
What are the key properties of 1,7-phenanthrolin-2-amine;bis(2-pyridin-2-ylpyridine)?
1,7-phenanthrolin-2-amine;bis(2-pyridin-2-ylpyridine) has a molecular weight of 507.60 g/mol, XLogP of 6.65, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-phenanthrolin-2-amine;bis(2-pyridin-2-ylpyridine) is sourced from PubChem (CID 175508465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).