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

C57H36F6N6 — CID 58898650

IUPAC2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESFC(F)(F)C(c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1)(c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1)C(F)(F)F
InChIInChI=1S/C57H36F6N6/c58-56(59,60)55(57(61,62)63,47-33-29-39(30-34-47)37-21-25-45(26-22-37)53-66-49(41-13-5-1-6-14-41)64-50(67-53)42-15-7-2-8-16-42)48-35-31-40(32-36-48)38-23-27-46(28-24-38)54-68-51(43-17-9-3-10-18-43)65-52(69-54)44-19-11-4-12-20-44/h1-36H
InChIKeyCHKPDJLCRCUVIN-UHFFFAOYSA-N
MW918.94 g/mol
LogP14.80
Rot. Bonds10

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

2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 58898650) has the molecular formula C57H36F6N6 and a molecular weight of 918.94 g/mol. Its IUPAC name is 2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID58898650
Molecular FormulaC57H36F6N6
Molecular Weight918.94 g/mol
Exact Mass918.29
IUPAC Name2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESFC(F)(F)C(c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1)(c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1)C(F)(F)F
InChIInChI=1S/C57H36F6N6/c58-56(59,60)55(57(61,62)63,47-33-29-39(30-34-47)37-21-25-45(26-22-37)53-66-49(41-13-5-1-6-14-41)64-50(67-53)42-15-7-2-8-16-42)48-35-31-40(32-36-48)38-23-27-46(28-24-38)54-68-51(43-17-9-3-10-18-43)65-52(69-54)44-19-11-4-12-20-44/h1-36H
InChIKeyCHKPDJLCRCUVIN-UHFFFAOYSA-N
XLogP14.80
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.94
LogP ≤ 514.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]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-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 58898650) is 2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is FC(F)(F)C(c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1)(c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1)C(F)(F)F.
What is the InChIKey of 2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is CHKPDJLCRCUVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36F6N6/c58-56(59,60)55(57(61,62)63,47-33-29-39(30-34-47)37-21-25-45(26-22-37)53-66-49(41-13-5-1-6-14-41)64-50(67-53)42-15-7-2-8-16-42)48-35-31-40(32-36-48)38-23-27-46(28-24-38)54-68-51(43-17-9-3-10-18-43)65-52(69-54)44-19-11-4-12-20-44/h1-36H.
What are the key properties of 2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 918.94 g/mol, XLogP of 14.80, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 58898650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).