1-(4-methoxyphenyl)-3-phenylbenzo[f][1,7]naphthyridine

C25H18N2O — CID 132849958

IUPAC1-(4-methoxyphenyl)-3-phenylbenzo[f][1,7]naphthyridine
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc3cnc4ccccc4c23)cc1
InChIInChI=1S/C25H18N2O/c1-28-19-13-11-17(12-14-19)21-15-23(18-7-3-2-4-8-18)27-24-16-26-22-10-6-5-9-20(22)25(21)24/h2-16H,1H3
InChIKeyKRRAMKGIRYHIEV-UHFFFAOYSA-N
MW362.43 g/mol
LogP6.13
Rot. Bonds3

About 1-(4-methoxyphenyl)-3-phenylbenzo[f][1,7]naphthyridine

1-(4-methoxyphenyl)-3-phenylbenzo[f][1,7]naphthyridine (PubChem CID 132849958) has the molecular formula C25H18N2O and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-phenylbenzo[f][1,7]naphthyridine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-phenylbenzo[f][1,7]naphthyridine
PubChem CID132849958
Molecular FormulaC25H18N2O
Molecular Weight362.43 g/mol
Exact Mass362.14
IUPAC Name1-(4-methoxyphenyl)-3-phenylbenzo[f][1,7]naphthyridine
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc3cnc4ccccc4c23)cc1
InChIInChI=1S/C25H18N2O/c1-28-19-13-11-17(12-14-19)21-15-23(18-7-3-2-4-8-18)27-24-16-26-22-10-6-5-9-20(22)25(21)24/h2-16H,1H3
InChIKeyKRRAMKGIRYHIEV-UHFFFAOYSA-N
XLogP6.13
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 56.13
H-Bond Donors ≤ 50
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 1-(4-methoxyphenyl)-3-phenylbenzo[f][1,7]naphthyridine?
The IUPAC name of 1-(4-methoxyphenyl)-3-phenylbenzo[f][1,7]naphthyridine (CID 132849958) is 1-(4-methoxyphenyl)-3-phenylbenzo[f][1,7]naphthyridine.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-phenylbenzo[f][1,7]naphthyridine?
The canonical SMILES for 1-(4-methoxyphenyl)-3-phenylbenzo[f][1,7]naphthyridine is COc1ccc(-c2cc(-c3ccccc3)nc3cnc4ccccc4c23)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-phenylbenzo[f][1,7]naphthyridine?
The InChIKey is KRRAMKGIRYHIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O/c1-28-19-13-11-17(12-14-19)21-15-23(18-7-3-2-4-8-18)27-24-16-26-22-10-6-5-9-20(22)25(21)24/h2-16H,1H3.
What are the key properties of 1-(4-methoxyphenyl)-3-phenylbenzo[f][1,7]naphthyridine?
1-(4-methoxyphenyl)-3-phenylbenzo[f][1,7]naphthyridine has a molecular weight of 362.43 g/mol, XLogP of 6.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-phenylbenzo[f][1,7]naphthyridine is sourced from PubChem (CID 132849958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).