naphtho[2,3-f][1,10]phenanthroline

C20H12N2 — CID 15381524

IUPACnaphtho[2,3-f][1,10]phenanthroline
SMILESc1ccc2cc3c(cc2c1)c1cccnc1c1ncccc31
InChIInChI=1S/C20H12N2/c1-2-6-14-12-18-16-8-4-10-22-20(16)19-15(7-3-9-21-19)17(18)11-13(14)5-1/h1-12H
InChIKeyXHOBXFUVWIFTKG-UHFFFAOYSA-N
MW280.33 g/mol
LogP5.09
Rot. Bonds

About naphtho[2,3-f][1,10]phenanthroline

naphtho[2,3-f][1,10]phenanthroline (PubChem CID 15381524) has the molecular formula C20H12N2 and a molecular weight of 280.33 g/mol. Its IUPAC name is naphtho[2,3-f][1,10]phenanthroline.

Molecular Properties

Compound Namenaphtho[2,3-f][1,10]phenanthroline
PubChem CID15381524
Molecular FormulaC20H12N2
Molecular Weight280.33 g/mol
Exact Mass280.10
IUPAC Namenaphtho[2,3-f][1,10]phenanthroline
SMILESc1ccc2cc3c(cc2c1)c1cccnc1c1ncccc31
InChIInChI=1S/C20H12N2/c1-2-6-14-12-18-16-8-4-10-22-20(16)19-15(7-3-9-21-19)17(18)11-13(14)5-1/h1-12H
InChIKeyXHOBXFUVWIFTKG-UHFFFAOYSA-N
XLogP5.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.33
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 naphtho[2,3-f][1,10]phenanthroline?
The IUPAC name of naphtho[2,3-f][1,10]phenanthroline (CID 15381524) is naphtho[2,3-f][1,10]phenanthroline.
What is the SMILES notation for naphtho[2,3-f][1,10]phenanthroline?
The canonical SMILES for naphtho[2,3-f][1,10]phenanthroline is c1ccc2cc3c(cc2c1)c1cccnc1c1ncccc31.
What is the InChIKey of naphtho[2,3-f][1,10]phenanthroline?
The InChIKey is XHOBXFUVWIFTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2/c1-2-6-14-12-18-16-8-4-10-22-20(16)19-15(7-3-9-21-19)17(18)11-13(14)5-1/h1-12H.
What are the key properties of naphtho[2,3-f][1,10]phenanthroline?
naphtho[2,3-f][1,10]phenanthroline has a molecular weight of 280.33 g/mol, XLogP of 5.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphtho[2,3-f][1,10]phenanthroline is sourced from PubChem (CID 15381524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).