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

C36H22F2N6 — CID 157251104

IUPAC2-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)n2)cc1
InChIInChI=1S/C36H22F2N6/c37-29-19-15-27(16-20-29)35-42-34(43-36(44-35)28-17-21-30(38)22-18-28)26-13-11-25(12-14-26)33-40-31(23-7-3-1-4-8-23)39-32(41-33)24-9-5-2-6-10-24/h1-22H
InChIKeyXRXQJLCHFGSQKC-UHFFFAOYSA-N
MW576.61 g/mol
LogP8.34
Rot. Bonds6

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

2-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 157251104) has the molecular formula C36H22F2N6 and a molecular weight of 576.61 g/mol. Its IUPAC name is 2-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID157251104
Molecular FormulaC36H22F2N6
Molecular Weight576.61 g/mol
Exact Mass576.19
IUPAC Name2-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)n2)cc1
InChIInChI=1S/C36H22F2N6/c37-29-19-15-27(16-20-29)35-42-34(43-36(44-35)28-17-21-30(38)22-18-28)26-13-11-25(12-14-26)33-40-31(23-7-3-1-4-8-23)39-32(41-33)24-9-5-2-6-10-24/h1-22H
InChIKeyXRXQJLCHFGSQKC-UHFFFAOYSA-N
XLogP8.34
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.61
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 157251104) is 2-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is Fc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)n2)cc1.
What is the InChIKey of 2-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is XRXQJLCHFGSQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22F2N6/c37-29-19-15-27(16-20-29)35-42-34(43-36(44-35)28-17-21-30(38)22-18-28)26-13-11-25(12-14-26)33-40-31(23-7-3-1-4-8-23)39-32(41-33)24-9-5-2-6-10-24/h1-22H.
What are the key properties of 2-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 576.61 g/mol, XLogP of 8.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 157251104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).