2-[[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine

C31H18F4N6 — CID 58299037

IUPAC2-[[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine
SMILESFc1ccc(-c2nc(Cc3nc(-c4ccc(F)cc4)nc(-c4ccc(F)cc4)n3)nc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C31H18F4N6/c32-22-9-1-18(2-10-22)28-36-26(37-29(40-28)19-3-11-23(33)12-4-19)17-27-38-30(20-5-13-24(34)14-6-20)41-31(39-27)21-7-15-25(35)16-8-21/h1-16H,17H2
InChIKeyPSVZMTLKHUNYDA-UHFFFAOYSA-N
MW550.52 g/mol
LogP6.87
Rot. Bonds6

About 2-[[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine

2-[[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine (PubChem CID 58299037) has the molecular formula C31H18F4N6 and a molecular weight of 550.52 g/mol. Its IUPAC name is 2-[[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine
PubChem CID58299037
Molecular FormulaC31H18F4N6
Molecular Weight550.52 g/mol
Exact Mass550.15
IUPAC Name2-[[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine
SMILESFc1ccc(-c2nc(Cc3nc(-c4ccc(F)cc4)nc(-c4ccc(F)cc4)n3)nc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C31H18F4N6/c32-22-9-1-18(2-10-22)28-36-26(37-29(40-28)19-3-11-23(33)12-4-19)17-27-38-30(20-5-13-24(34)14-6-20)41-31(39-27)21-7-15-25(35)16-8-21/h1-16H,17H2
InChIKeyPSVZMTLKHUNYDA-UHFFFAOYSA-N
XLogP6.87
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.52
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine?
The IUPAC name of 2-[[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine (CID 58299037) is 2-[[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine?
The canonical SMILES for 2-[[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine is Fc1ccc(-c2nc(Cc3nc(-c4ccc(F)cc4)nc(-c4ccc(F)cc4)n3)nc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-[[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine?
The InChIKey is PSVZMTLKHUNYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18F4N6/c32-22-9-1-18(2-10-22)28-36-26(37-29(40-28)19-3-11-23(33)12-4-19)17-27-38-30(20-5-13-24(34)14-6-20)41-31(39-27)21-7-15-25(35)16-8-21/h1-16H,17H2.
What are the key properties of 2-[[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine?
2-[[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine has a molecular weight of 550.52 g/mol, XLogP of 6.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine is sourced from PubChem (CID 58299037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).