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

C57H38F6N6O2 — CID 162545270

IUPAC2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)cyclohexa-1,5-dien-1-yl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESFC(F)(F)C(c1ccc(OC2=CCC(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)C=C2)cc1)(c1ccc(Oc2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1)C(F)(F)F
InChIInChI=1S/C57H38F6N6O2/c58-56(59,60)55(57(61,62)63,43-25-33-47(34-26-43)70-45-29-21-41(22-30-45)53-66-49(37-13-5-1-6-14-37)64-50(67-53)38-15-7-2-8-16-38)44-27-35-48(36-28-44)71-46-31-23-42(24-32-46)54-68-51(39-17-9-3-10-18-39)65-52(69-54)40-19-11-4-12-20-40/h1-23,25-36,42H,24H2
InChIKeyOJZMCQLSXJQGDY-UHFFFAOYSA-N
MW952.96 g/mol
LogP14.60
Rot. Bonds12

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

2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)cyclohexa-1,5-dien-1-yl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 162545270) has the molecular formula C57H38F6N6O2 and a molecular weight of 952.96 g/mol. Its IUPAC name is 2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)cyclohexa-1,5-dien-1-yl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]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)cyclohexa-1,5-dien-1-yl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID162545270
Molecular FormulaC57H38F6N6O2
Molecular Weight952.96 g/mol
Exact Mass952.30
IUPAC Name2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)cyclohexa-1,5-dien-1-yl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESFC(F)(F)C(c1ccc(OC2=CCC(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)C=C2)cc1)(c1ccc(Oc2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1)C(F)(F)F
InChIInChI=1S/C57H38F6N6O2/c58-56(59,60)55(57(61,62)63,43-25-33-47(34-26-43)70-45-29-21-41(22-30-45)53-66-49(37-13-5-1-6-14-37)64-50(67-53)38-15-7-2-8-16-38)44-27-35-48(36-28-44)71-46-31-23-42(24-32-46)54-68-51(39-17-9-3-10-18-39)65-52(69-54)40-19-11-4-12-20-40/h1-23,25-36,42H,24H2
InChIKeyOJZMCQLSXJQGDY-UHFFFAOYSA-N
XLogP14.60
TPSA95.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500952.96
LogP ≤ 514.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)cyclohepta-1,3,6-trien-1-yl]oxyphenyl]propan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 162611127
1,3-diphenoxy-5-phenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene
CID 158505894
2,4-diphenyl-6-[4-[4-(1,3,5-triazin-2-yl)phenoxy]phenyl]-1,3,5-triazine
CID 140904944
2-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155050379
2-[4-[1-ethyl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]cyclohexa-2,4-dien-1-yl]propyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163895787
[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-diphenylphosphane
CID 134569765
1-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-4-methylbenzene
CID 59008627
1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 59165224
2-naphthalen-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine
CID 170424272
2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4-(4-phenylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 122543049
2-[4-cyclohexa-2,4-dien-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol
CID 137091225
4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2-(4-phenylcyclohexa-2,4-dien-1-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 155050391

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)cyclohexa-1,5-dien-1-yl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]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)cyclohexa-1,5-dien-1-yl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 162545270) is 2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)cyclohexa-1,5-dien-1-yl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]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)cyclohexa-1,5-dien-1-yl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]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)cyclohexa-1,5-dien-1-yl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine is FC(F)(F)C(c1ccc(OC2=CCC(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)C=C2)cc1)(c1ccc(Oc2ccc(-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)cyclohexa-1,5-dien-1-yl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is OJZMCQLSXJQGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38F6N6O2/c58-56(59,60)55(57(61,62)63,43-25-33-47(34-26-43)70-45-29-21-41(22-30-45)53-66-49(37-13-5-1-6-14-37)64-50(67-53)38-15-7-2-8-16-38)44-27-35-48(36-28-44)71-46-31-23-42(24-32-46)54-68-51(39-17-9-3-10-18-39)65-52(69-54)40-19-11-4-12-20-40/h1-23,25-36,42H,24H2.
What are the key properties of 2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)cyclohexa-1,5-dien-1-yl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)cyclohexa-1,5-dien-1-yl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 952.96 g/mol, XLogP of 14.60, 12 rotatable bonds, 0 hydrogen bond donors, and 8 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)cyclohexa-1,5-dien-1-yl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 162545270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).