8-(4-dibenzofuran-4-yl-6-phenyl-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

C41H26F3N5O — CID 130376297

IUPAC8-(4-dibenzofuran-4-yl-6-phenyl-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(-c4ccccc4)nc(-c4cccc5c4oc4ccccc45)n3)c2n1
InChIInChI=1S/C41H26F3N5O/c42-41(43,44)34-18-17-29-35(25-15-16-26-23-13-14-24(19-23)31(26)20-25)45-21-32(36(29)46-34)40-48-38(22-7-2-1-3-8-22)47-39(49-40)30-11-6-10-28-27-9-4-5-12-33(27)50-37(28)30/h1-12,15-18,20-21,23-24H,13-14,19H2
InChIKeySYMHFUNCYQNPGX-UHFFFAOYSA-N
MW661.69 g/mol
LogP10.77
Rot. Bonds4

About 8-(4-dibenzofuran-4-yl-6-phenyl-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-dibenzofuran-4-yl-6-phenyl-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 130376297) has the molecular formula C41H26F3N5O and a molecular weight of 661.69 g/mol. Its IUPAC name is 8-(4-dibenzofuran-4-yl-6-phenyl-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-dibenzofuran-4-yl-6-phenyl-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 CID130376297
Molecular FormulaC41H26F3N5O
Molecular Weight661.69 g/mol
Exact Mass661.21
IUPAC Name8-(4-dibenzofuran-4-yl-6-phenyl-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(-c4ccccc4)nc(-c4cccc5c4oc4ccccc45)n3)c2n1
InChIInChI=1S/C41H26F3N5O/c42-41(43,44)34-18-17-29-35(25-15-16-26-23-13-14-24(19-23)31(26)20-25)45-21-32(36(29)46-34)40-48-38(22-7-2-1-3-8-22)47-39(49-40)30-11-6-10-28-27-9-4-5-12-33(27)50-37(28)30/h1-12,15-18,20-21,23-24H,13-14,19H2
InChIKeySYMHFUNCYQNPGX-UHFFFAOYSA-N
XLogP10.77
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.69
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-(4-dibenzofuran-4-yl-6-phenyl-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-dibenzofuran-4-yl-6-phenyl-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-dibenzofuran-4-yl-6-phenyl-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 130376297) is 8-(4-dibenzofuran-4-yl-6-phenyl-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-dibenzofuran-4-yl-6-phenyl-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-dibenzofuran-4-yl-6-phenyl-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(-c4ccccc4)nc(-c4cccc5c4oc4ccccc45)n3)c2n1.
What is the InChIKey of 8-(4-dibenzofuran-4-yl-6-phenyl-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 SYMHFUNCYQNPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26F3N5O/c42-41(43,44)34-18-17-29-35(25-15-16-26-23-13-14-24(19-23)31(26)20-25)45-21-32(36(29)46-34)40-48-38(22-7-2-1-3-8-22)47-39(49-40)30-11-6-10-28-27-9-4-5-12-33(27)50-37(28)30/h1-12,15-18,20-21,23-24H,13-14,19H2.
What are the key properties of 8-(4-dibenzofuran-4-yl-6-phenyl-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-dibenzofuran-4-yl-6-phenyl-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 661.69 g/mol, XLogP of 10.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-dibenzofuran-4-yl-6-phenyl-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 130376297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).