2-(4-fluorophenyl)-4-[3-[7-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazine

C52H32F2N6 — CID 118075095

IUPAC2-(4-fluorophenyl)-4-[3-[7-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5cccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccc(F)cc8)n7)c6)c5c4)c3)n2)cc1
InChIInChI=1S/C52H32F2N6/c53-43-26-22-36(23-27-43)49-55-47(34-10-3-1-4-11-34)57-51(59-49)41-17-7-15-38(30-41)39-21-20-33-14-9-19-45(46(33)32-39)40-16-8-18-42(31-40)52-58-48(35-12-5-2-6-13-35)56-50(60-52)37-24-28-44(54)29-25-37/h1-32H
InChIKeyJPLLMSPXCQCYAB-UHFFFAOYSA-N
MW778.87 g/mol
LogP12.82
Rot. Bonds8

About 2-(4-fluorophenyl)-4-[3-[7-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazine

2-(4-fluorophenyl)-4-[3-[7-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 118075095) has the molecular formula C52H32F2N6 and a molecular weight of 778.87 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[3-[7-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[3-[7-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazine
PubChem CID118075095
Molecular FormulaC52H32F2N6
Molecular Weight778.87 g/mol
Exact Mass778.27
IUPAC Name2-(4-fluorophenyl)-4-[3-[7-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5cccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccc(F)cc8)n7)c6)c5c4)c3)n2)cc1
InChIInChI=1S/C52H32F2N6/c53-43-26-22-36(23-27-43)49-55-47(34-10-3-1-4-11-34)57-51(59-49)41-17-7-15-38(30-41)39-21-20-33-14-9-19-45(46(33)32-39)40-16-8-18-42(31-40)52-58-48(35-12-5-2-6-13-35)56-50(60-52)37-24-28-44(54)29-25-37/h1-32H
InChIKeyJPLLMSPXCQCYAB-UHFFFAOYSA-N
XLogP12.82
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.87
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-fluorophenyl)-4-[3-[7-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[3-[7-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(4-fluorophenyl)-4-[3-[7-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazine (CID 118075095) is 2-(4-fluorophenyl)-4-[3-[7-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[3-[7-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(4-fluorophenyl)-4-[3-[7-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazine is Fc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5cccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccc(F)cc8)n7)c6)c5c4)c3)n2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-[3-[7-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is JPLLMSPXCQCYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32F2N6/c53-43-26-22-36(23-27-43)49-55-47(34-10-3-1-4-11-34)57-51(59-49)41-17-7-15-38(30-41)39-21-20-33-14-9-19-45(46(33)32-39)40-16-8-18-42(31-40)52-58-48(35-12-5-2-6-13-35)56-50(60-52)37-24-28-44(54)29-25-37/h1-32H.
What are the key properties of 2-(4-fluorophenyl)-4-[3-[7-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazine?
2-(4-fluorophenyl)-4-[3-[7-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 778.87 g/mol, XLogP of 12.82, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[3-[7-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 118075095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).