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

C32H18F4N6 — CID 89110340

IUPAC2-[1-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]ethenyl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine
SMILESC=C(c1nc(-c2ccc(F)cc2)nc(-c2ccc(F)cc2)n1)c1nc(-c2ccc(F)cc2)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C32H18F4N6/c1-18(27-37-29(19-2-10-23(33)11-3-19)41-30(38-27)20-4-12-24(34)13-5-20)28-39-31(21-6-14-25(35)15-7-21)42-32(40-28)22-8-16-26(36)17-9-22/h2-17H,1H2
InChIKeyQHOQQGXXDVSHCS-UHFFFAOYSA-N
MW562.53 g/mol
LogP7.34
Rot. Bonds6

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

2-[1-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]ethenyl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine (PubChem CID 89110340) has the molecular formula C32H18F4N6 and a molecular weight of 562.53 g/mol. Its IUPAC name is 2-[1-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]ethenyl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[1-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]ethenyl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine
PubChem CID89110340
Molecular FormulaC32H18F4N6
Molecular Weight562.53 g/mol
Exact Mass562.15
IUPAC Name2-[1-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]ethenyl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine
SMILESC=C(c1nc(-c2ccc(F)cc2)nc(-c2ccc(F)cc2)n1)c1nc(-c2ccc(F)cc2)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C32H18F4N6/c1-18(27-37-29(19-2-10-23(33)11-3-19)41-30(38-27)20-4-12-24(34)13-5-20)28-39-31(21-6-14-25(35)15-7-21)42-32(40-28)22-8-16-26(36)17-9-22/h2-17H,1H2
InChIKeyQHOQQGXXDVSHCS-UHFFFAOYSA-N
XLogP7.34
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.53
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]ethenyl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine?
The IUPAC name of 2-[1-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]ethenyl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine (CID 89110340) is 2-[1-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]ethenyl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[1-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]ethenyl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine?
The canonical SMILES for 2-[1-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]ethenyl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine is C=C(c1nc(-c2ccc(F)cc2)nc(-c2ccc(F)cc2)n1)c1nc(-c2ccc(F)cc2)nc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[1-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]ethenyl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine?
The InChIKey is QHOQQGXXDVSHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18F4N6/c1-18(27-37-29(19-2-10-23(33)11-3-19)41-30(38-27)20-4-12-24(34)13-5-20)28-39-31(21-6-14-25(35)15-7-21)42-32(40-28)22-8-16-26(36)17-9-22/h2-17H,1H2.
What are the key properties of 2-[1-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]ethenyl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine?
2-[1-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]ethenyl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine has a molecular weight of 562.53 g/mol, XLogP of 7.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]ethenyl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine is sourced from PubChem (CID 89110340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).