N-phenyl-1,10-phenanthrolin-2-amine

C18H13N3 — CID 132850503

IUPACN-phenyl-1,10-phenanthrolin-2-amine
SMILESc1ccc(Nc2ccc3ccc4cccnc4c3n2)cc1
InChIInChI=1S/C18H13N3/c1-2-6-15(7-3-1)20-16-11-10-14-9-8-13-5-4-12-19-17(13)18(14)21-16/h1-12H,(H,20,21)
InChIKeyNBSXXPJIAYWGLB-UHFFFAOYSA-N
MW271.32 g/mol
LogP4.53
Rot. Bonds2

About N-phenyl-1,10-phenanthrolin-2-amine

N-phenyl-1,10-phenanthrolin-2-amine (PubChem CID 132850503) has the molecular formula C18H13N3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-phenyl-1,10-phenanthrolin-2-amine.

Molecular Properties

Compound NameN-phenyl-1,10-phenanthrolin-2-amine
PubChem CID132850503
Molecular FormulaC18H13N3
Molecular Weight271.32 g/mol
Exact Mass271.11
IUPAC NameN-phenyl-1,10-phenanthrolin-2-amine
SMILESc1ccc(Nc2ccc3ccc4cccnc4c3n2)cc1
InChIInChI=1S/C18H13N3/c1-2-6-15(7-3-1)20-16-11-10-14-9-8-13-5-4-12-19-17(13)18(14)21-16/h1-12H,(H,20,21)
InChIKeyNBSXXPJIAYWGLB-UHFFFAOYSA-N
XLogP4.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1,10-phenanthrolin-2-ylamino)benzonitrile
CID 166633042
N-chloro-1,10-phenanthrolin-2-amine
CID 90121840
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
dichlorocopper;hydrogen peroxide;1,10-phenanthroline
CID 158916437
sodium;cobalt(3+);molybdenum;(oxygen(2-));tris(1,10-phenanthroline);trihydrate
CID 139178820
N'-(1,10-phenanthrolin-2-yl)propane-1,3-diamine
CID 132938270

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1,10-phenanthrolin-2-amine?
The IUPAC name of N-phenyl-1,10-phenanthrolin-2-amine (CID 132850503) is N-phenyl-1,10-phenanthrolin-2-amine.
What is the SMILES notation for N-phenyl-1,10-phenanthrolin-2-amine?
The canonical SMILES for N-phenyl-1,10-phenanthrolin-2-amine is c1ccc(Nc2ccc3ccc4cccnc4c3n2)cc1.
What is the InChIKey of N-phenyl-1,10-phenanthrolin-2-amine?
The InChIKey is NBSXXPJIAYWGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3/c1-2-6-15(7-3-1)20-16-11-10-14-9-8-13-5-4-12-19-17(13)18(14)21-16/h1-12H,(H,20,21).
What are the key properties of N-phenyl-1,10-phenanthrolin-2-amine?
N-phenyl-1,10-phenanthrolin-2-amine has a molecular weight of 271.32 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1,10-phenanthrolin-2-amine is sourced from PubChem (CID 132850503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).