8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine

C45H36F3N5O — CID 130376295

IUPAC8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine
SMILESCC1(C)c2ccc(-c3ncc(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)c4nc(C(F)(F)F)ccc34)cc2C(C)(C)C1(C)C
InChIInChI=1S/C45H36F3N5O/c1-42(2)32-21-19-26(23-33(32)43(3,4)44(42,5)6)36-29-20-22-35(45(46,47)48)50-37(29)31(24-49-36)41-52-39(25-13-8-7-9-14-25)51-40(53-41)30-17-12-16-28-27-15-10-11-18-34(27)54-38(28)30/h7-24H,1-6H3
InChIKeyZUNXAGYNLPTXDU-UHFFFAOYSA-N
MW719.81 g/mol
LogP12.00
Rot. Bonds4

About 8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine

8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine (PubChem CID 130376295) has the molecular formula C45H36F3N5O and a molecular weight of 719.81 g/mol. Its IUPAC name is 8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine.

Molecular Properties

Compound Name8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine
PubChem CID130376295
Molecular FormulaC45H36F3N5O
Molecular Weight719.81 g/mol
Exact Mass719.29
IUPAC Name8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine
SMILESCC1(C)c2ccc(-c3ncc(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)c4nc(C(F)(F)F)ccc34)cc2C(C)(C)C1(C)C
InChIInChI=1S/C45H36F3N5O/c1-42(2)32-21-19-26(23-33(32)43(3,4)44(42,5)6)36-29-20-22-35(45(46,47)48)50-37(29)31(24-49-36)41-52-39(25-13-8-7-9-14-25)51-40(53-41)30-17-12-16-28-27-15-10-11-18-34(27)54-38(28)30/h7-24H,1-6H3
InChIKeyZUNXAGYNLPTXDU-UHFFFAOYSA-N
XLogP12.00
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.81
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(1,1,2,2,3,3-hexamethylinden-5-yl)-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-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine?
The IUPAC name of 8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine (CID 130376295) is 8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(1,1,2,2,3,3-hexamethylinden-5-yl)-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-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine?
The canonical SMILES for 8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine is CC1(C)c2ccc(-c3ncc(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)c4nc(C(F)(F)F)ccc34)cc2C(C)(C)C1(C)C.
What is the InChIKey of 8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine?
The InChIKey is ZUNXAGYNLPTXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36F3N5O/c1-42(2)32-21-19-26(23-33(32)43(3,4)44(42,5)6)36-29-20-22-35(45(46,47)48)50-37(29)31(24-49-36)41-52-39(25-13-8-7-9-14-25)51-40(53-41)30-17-12-16-28-27-15-10-11-18-34(27)54-38(28)30/h7-24H,1-6H3.
What are the key properties of 8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine?
8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine has a molecular weight of 719.81 g/mol, XLogP of 12.00, 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-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine is sourced from PubChem (CID 130376295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).