N-naphthalen-1-ylphenanthren-2-amine

C24H17N — CID 139983977

IUPACN-naphthalen-1-ylphenanthren-2-amine
SMILESc1ccc2c(Nc3ccc4c(ccc5ccccc54)c3)cccc2c1
InChIInChI=1S/C24H17N/c1-3-9-21-18(7-1)12-13-19-16-20(14-15-22(19)21)25-24-11-5-8-17-6-2-4-10-23(17)24/h1-16,25H
InChIKeyHURWIJVHOZWWJE-UHFFFAOYSA-N
MW319.41 g/mol
LogP6.89
Rot. Bonds2

About N-naphthalen-1-ylphenanthren-2-amine

N-naphthalen-1-ylphenanthren-2-amine (PubChem CID 139983977) has the molecular formula C24H17N and a molecular weight of 319.41 g/mol. Its IUPAC name is N-naphthalen-1-ylphenanthren-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-ylphenanthren-2-amine
PubChem CID139983977
Molecular FormulaC24H17N
Molecular Weight319.41 g/mol
Exact Mass319.14
IUPAC NameN-naphthalen-1-ylphenanthren-2-amine
SMILESc1ccc2c(Nc3ccc4c(ccc5ccccc54)c3)cccc2c1
InChIInChI=1S/C24H17N/c1-3-9-21-18(7-1)12-13-19-16-20(14-15-22(19)21)25-24-11-5-8-17-6-2-4-10-23(17)24/h1-16,25H
InChIKeyHURWIJVHOZWWJE-UHFFFAOYSA-N
XLogP6.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.41
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-ylphenanthren-2-amine?
The IUPAC name of N-naphthalen-1-ylphenanthren-2-amine (CID 139983977) is N-naphthalen-1-ylphenanthren-2-amine.
What is the SMILES notation for N-naphthalen-1-ylphenanthren-2-amine?
The canonical SMILES for N-naphthalen-1-ylphenanthren-2-amine is c1ccc2c(Nc3ccc4c(ccc5ccccc54)c3)cccc2c1.
What is the InChIKey of N-naphthalen-1-ylphenanthren-2-amine?
The InChIKey is HURWIJVHOZWWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N/c1-3-9-21-18(7-1)12-13-19-16-20(14-15-22(19)21)25-24-11-5-8-17-6-2-4-10-23(17)24/h1-16,25H.
What are the key properties of N-naphthalen-1-ylphenanthren-2-amine?
N-naphthalen-1-ylphenanthren-2-amine has a molecular weight of 319.41 g/mol, XLogP of 6.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-ylphenanthren-2-amine is sourced from PubChem (CID 139983977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).