8-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-2-(trifluoromethyl)-1,6-naphthyridine

C43H28F3N5 — CID 130376298

IUPAC8-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-2-(trifluoromethyl)-1,6-naphthyridine
SMILESFC(F)(F)c1ccc2c(-c3ccc4c(c3)C3CCC4C3)ncc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)c2n1
InChIInChI=1S/C43H28F3N5/c44-43(45,46)37-20-19-34-38(28-17-18-31-26-15-16-27(21-26)35(31)22-28)47-23-36(39(34)48-37)42-50-40(32-13-5-9-24-7-1-3-11-29(24)32)49-41(51-42)33-14-6-10-25-8-2-4-12-30(25)33/h1-14,17-20,22-23,26-27H,15-16,21H2
InChIKeyXHWMGDVAVHILLE-UHFFFAOYSA-N
MW671.73 g/mol
LogP11.17
Rot. Bonds4

About 8-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-2-(trifluoromethyl)-1,6-naphthyridine

8-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-2-(trifluoromethyl)-1,6-naphthyridine (PubChem CID 130376298) has the molecular formula C43H28F3N5 and a molecular weight of 671.73 g/mol. Its IUPAC name is 8-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-2-(trifluoromethyl)-1,6-naphthyridine.

Molecular Properties

Compound Name8-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-2-(trifluoromethyl)-1,6-naphthyridine
PubChem CID130376298
Molecular FormulaC43H28F3N5
Molecular Weight671.73 g/mol
Exact Mass671.23
IUPAC Name8-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-2-(trifluoromethyl)-1,6-naphthyridine
SMILESFC(F)(F)c1ccc2c(-c3ccc4c(c3)C3CCC4C3)ncc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)c2n1
InChIInChI=1S/C43H28F3N5/c44-43(45,46)37-20-19-34-38(28-17-18-31-26-15-16-27(21-26)35(31)22-28)47-23-36(39(34)48-37)42-50-40(32-13-5-9-24-7-1-3-11-29(24)32)49-41(51-42)33-14-6-10-25-8-2-4-12-30(25)33/h1-14,17-20,22-23,26-27H,15-16,21H2
InChIKeyXHWMGDVAVHILLE-UHFFFAOYSA-N
XLogP11.17
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.73
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-2-(trifluoromethyl)-1,6-naphthyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-2-(trifluoromethyl)-1,6-naphthyridine?
The IUPAC name of 8-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-2-(trifluoromethyl)-1,6-naphthyridine (CID 130376298) is 8-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-2-(trifluoromethyl)-1,6-naphthyridine.
What is the SMILES notation for 8-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-2-(trifluoromethyl)-1,6-naphthyridine?
The canonical SMILES for 8-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-2-(trifluoromethyl)-1,6-naphthyridine is FC(F)(F)c1ccc2c(-c3ccc4c(c3)C3CCC4C3)ncc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)c2n1.
What is the InChIKey of 8-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-2-(trifluoromethyl)-1,6-naphthyridine?
The InChIKey is XHWMGDVAVHILLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28F3N5/c44-43(45,46)37-20-19-34-38(28-17-18-31-26-15-16-27(21-26)35(31)22-28)47-23-36(39(34)48-37)42-50-40(32-13-5-9-24-7-1-3-11-29(24)32)49-41(51-42)33-14-6-10-25-8-2-4-12-30(25)33/h1-14,17-20,22-23,26-27H,15-16,21H2.
What are the key properties of 8-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-2-(trifluoromethyl)-1,6-naphthyridine?
8-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-2-(trifluoromethyl)-1,6-naphthyridine has a molecular weight of 671.73 g/mol, XLogP of 11.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-2-(trifluoromethyl)-1,6-naphthyridine is sourced from PubChem (CID 130376298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).