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

C57H39F3N6 — CID 159339093

IUPAC2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC(c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1)(c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1)C(F)(F)F
InChIInChI=1S/C57H39F3N6/c1-56(57(58,59)60,48-34-30-40(31-35-48)38-22-26-46(27-23-38)54-63-50(42-14-6-2-7-15-42)61-51(64-54)43-16-8-3-9-17-43)49-36-32-41(33-37-49)39-24-28-47(29-25-39)55-65-52(44-18-10-4-11-19-44)62-53(66-55)45-20-12-5-13-21-45/h2-37H,1H3
InChIKeyKZRGZNLMRSJODV-UHFFFAOYSA-N
MW864.98 g/mol
LogP14.26
Rot. Bonds10

About 2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,1,1-trifluoropropan-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-trifluoropropan-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 159339093) has the molecular formula C57H39F3N6 and a molecular weight of 864.98 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-trifluoropropan-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-trifluoropropan-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID159339093
Molecular FormulaC57H39F3N6
Molecular Weight864.98 g/mol
Exact Mass864.32
IUPAC Name2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC(c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1)(c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1)C(F)(F)F
InChIInChI=1S/C57H39F3N6/c1-56(57(58,59)60,48-34-30-40(31-35-48)38-22-26-46(27-23-38)54-63-50(42-14-6-2-7-15-42)61-51(64-54)43-16-8-3-9-17-43)49-36-32-41(33-37-49)39-24-28-47(29-25-39)55-65-52(44-18-10-4-11-19-44)62-53(66-55)45-20-12-5-13-21-45/h2-37H,1H3
InChIKeyKZRGZNLMRSJODV-UHFFFAOYSA-N
XLogP14.26
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.98
LogP ≤ 514.26
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-trifluoropropan-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,6-Tris(4-methylphenyl)-1,3,5-triazine
CID 23182
Tris-biphenyl triazine
CID 11628027
2,4-Bis(4-biphenylyl)-6-chloro-1,3,5-triazine
CID 22476006
2,4-Bis(4-(tert-butyl)phenyl)-6-chloro-1,3,5-triazine (This product is only available in Japan.)
CID 22475991
2-([1,1'-Biphenyl]-4-yl)-4-chloro-6-phenyl-1,3,5-triazine
CID 117770458
2-(3'-(9,9-dimethyl-9H-fluoren-2-yl)-[1,1'-biphenyl]-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 121450606
2,4,6-Tris(2,4-dimethylphenyl)-1,3,5-triazine
CID 22475988
6,6'-((Perfluoropropane-2,2-diyl)bis(4,1-phenylene))bis(2,4-diphenyl-1,3,5-triazine)
CID 139500797
2,4-Bis(4-methylphenyl)-6-phenyl-1,3,5-triazine
CID 576224
1,3,5-Triazine, 2,4,6-tris[4-(trifluoromethyl)phenyl]-
CID 598796
2,4-Diphenyl-6-(p-tolyl)-1,3,5-triazine
CID 27684
2-(4,6-Diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 15564616

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-trifluoropropan-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-trifluoropropan-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 159339093) is 2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,1,1-trifluoropropan-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-trifluoropropan-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-trifluoropropan-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is CC(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-trifluoropropan-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is KZRGZNLMRSJODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39F3N6/c1-56(57(58,59)60,48-34-30-40(31-35-48)38-22-26-46(27-23-38)54-63-50(42-14-6-2-7-15-42)61-51(64-54)43-16-8-3-9-17-43)49-36-32-41(33-37-49)39-24-28-47(29-25-39)55-65-52(44-18-10-4-11-19-44)62-53(66-55)45-20-12-5-13-21-45/h2-37H,1H3.
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-trifluoropropan-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-trifluoropropan-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 864.98 g/mol, XLogP of 14.26, 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-trifluoropropan-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 159339093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).