N-naphthalen-1-yl-1,10-phenanthrolin-2-amine

C22H15N3 — CID 166634531

IUPACN-naphthalen-1-yl-1,10-phenanthrolin-2-amine
SMILESc1ccc2c(Nc3ccc4ccc5cccnc5c4n3)cccc2c1
InChIInChI=1S/C22H15N3/c1-2-8-18-15(5-1)6-3-9-19(18)24-20-13-12-17-11-10-16-7-4-14-23-21(16)22(17)25-20/h1-14H,(H,24,25)
InChIKeyKDAZEVTUEQPLJH-UHFFFAOYSA-N
MW321.38 g/mol
LogP5.68
Rot. Bonds2

About N-naphthalen-1-yl-1,10-phenanthrolin-2-amine

N-naphthalen-1-yl-1,10-phenanthrolin-2-amine (PubChem CID 166634531) has the molecular formula C22H15N3 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-naphthalen-1-yl-1,10-phenanthrolin-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-1,10-phenanthrolin-2-amine
PubChem CID166634531
Molecular FormulaC22H15N3
Molecular Weight321.38 g/mol
Exact Mass321.13
IUPAC NameN-naphthalen-1-yl-1,10-phenanthrolin-2-amine
SMILESc1ccc2c(Nc3ccc4ccc5cccnc5c4n3)cccc2c1
InChIInChI=1S/C22H15N3/c1-2-8-18-15(5-1)6-3-9-19(18)24-20-13-12-17-11-10-16-7-4-14-23-21(16)22(17)25-20/h1-14H,(H,24,25)
InChIKeyKDAZEVTUEQPLJH-UHFFFAOYSA-N
XLogP5.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.38
LogP ≤ 55.68
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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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-1,10-phenanthrolin-2-amine?
The IUPAC name of N-naphthalen-1-yl-1,10-phenanthrolin-2-amine (CID 166634531) is N-naphthalen-1-yl-1,10-phenanthrolin-2-amine.
What is the SMILES notation for N-naphthalen-1-yl-1,10-phenanthrolin-2-amine?
The canonical SMILES for N-naphthalen-1-yl-1,10-phenanthrolin-2-amine is c1ccc2c(Nc3ccc4ccc5cccnc5c4n3)cccc2c1.
What is the InChIKey of N-naphthalen-1-yl-1,10-phenanthrolin-2-amine?
The InChIKey is KDAZEVTUEQPLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3/c1-2-8-18-15(5-1)6-3-9-19(18)24-20-13-12-17-11-10-16-7-4-14-23-21(16)22(17)25-20/h1-14H,(H,24,25).
What are the key properties of N-naphthalen-1-yl-1,10-phenanthrolin-2-amine?
N-naphthalen-1-yl-1,10-phenanthrolin-2-amine has a molecular weight of 321.38 g/mol, XLogP of 5.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-1,10-phenanthrolin-2-amine is sourced from PubChem (CID 166634531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).