2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

C45H28F6N6 — CID 139500797

IUPAC2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESFC(F)(F)C(c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1)(c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1)C(F)(F)F
InChIInChI=1S/C45H28F6N6/c46-44(47,48)43(45(49,50)51,35-25-21-33(22-26-35)41-54-37(29-13-5-1-6-14-29)52-38(55-41)30-15-7-2-8-16-30)36-27-23-34(24-28-36)42-56-39(31-17-9-3-10-18-31)53-40(57-42)32-19-11-4-12-20-32/h1-28H
InChIKeyFQAMKNJOLYXGTO-UHFFFAOYSA-N
MW766.75 g/mol
LogP11.47
Rot. Bonds8

About 2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 139500797) has the molecular formula C45H28F6N6 and a molecular weight of 766.75 g/mol. Its IUPAC name is 2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID139500797
Molecular FormulaC45H28F6N6
Molecular Weight766.75 g/mol
Exact Mass766.23
IUPAC Name2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESFC(F)(F)C(c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1)(c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1)C(F)(F)F
InChIInChI=1S/C45H28F6N6/c46-44(47,48)43(45(49,50)51,35-25-21-33(22-26-35)41-54-37(29-13-5-1-6-14-29)52-38(55-41)30-15-7-2-8-16-30)36-27-23-34(24-28-36)42-56-39(31-17-9-3-10-18-31)53-40(57-42)32-19-11-4-12-20-32/h1-28H
InChIKeyFQAMKNJOLYXGTO-UHFFFAOYSA-N
XLogP11.47
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.75
LogP ≤ 511.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 139500797) is 2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is FC(F)(F)C(c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1)(c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1)C(F)(F)F.
What is the InChIKey of 2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is FQAMKNJOLYXGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28F6N6/c46-44(47,48)43(45(49,50)51,35-25-21-33(22-26-35)41-54-37(29-13-5-1-6-14-29)52-38(55-41)30-15-7-2-8-16-30)36-27-23-34(24-28-36)42-56-39(31-17-9-3-10-18-31)53-40(57-42)32-19-11-4-12-20-32/h1-28H.
What are the key properties of 2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 766.75 g/mol, XLogP of 11.47, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 139500797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).