4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,5-naphthyridine

C66H45F9N6O3 — CID 139095340

IUPAC4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,5-naphthyridine
SMILESCOc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3cccnc23)cc1.COc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3cccnc23)cc1.COc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3cccnc23)cc1
InChIInChI=1S/3C22H15F3N2O/c3*1-28-17-10-6-14(7-11-17)18-13-20(27-19-3-2-12-26-21(18)19)15-4-8-16(9-5-15)22(23,24)25/h3*2-13H,1H3
InChIKeyDWBNMZQXWUHHBO-UHFFFAOYSA-N
MW1141.11 g/mol
LogP17.97
Rot. Bonds9

About 4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,5-naphthyridine

4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,5-naphthyridine (PubChem CID 139095340) has the molecular formula C66H45F9N6O3 and a molecular weight of 1141.11 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,5-naphthyridine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,5-naphthyridine
PubChem CID139095340
Molecular FormulaC66H45F9N6O3
Molecular Weight1141.11 g/mol
Exact Mass1140.34
IUPAC Name4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,5-naphthyridine
SMILESCOc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3cccnc23)cc1.COc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3cccnc23)cc1.COc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3cccnc23)cc1
InChIInChI=1S/3C22H15F3N2O/c3*1-28-17-10-6-14(7-11-17)18-13-20(27-19-3-2-12-26-21(18)19)15-4-8-16(9-5-15)22(23,24)25/h3*2-13H,1H3
InChIKeyDWBNMZQXWUHHBO-UHFFFAOYSA-N
XLogP17.97
TPSA105.03 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001141.11
LogP ≤ 517.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,5-naphthyridine?
The IUPAC name of 4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,5-naphthyridine (CID 139095340) is 4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,5-naphthyridine.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,5-naphthyridine?
The canonical SMILES for 4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,5-naphthyridine is COc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3cccnc23)cc1.COc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3cccnc23)cc1.COc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3cccnc23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,5-naphthyridine?
The InChIKey is DWBNMZQXWUHHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C22H15F3N2O/c3*1-28-17-10-6-14(7-11-17)18-13-20(27-19-3-2-12-26-21(18)19)15-4-8-16(9-5-15)22(23,24)25/h3*2-13H,1H3.
What are the key properties of 4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,5-naphthyridine?
4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,5-naphthyridine has a molecular weight of 1141.11 g/mol, XLogP of 17.97, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,5-naphthyridine is sourced from PubChem (CID 139095340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).