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

C69H47F3N6 — CID 161085347

IUPAC2-[4-[2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESCC(c1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1)(c1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1)C(F)(F)F
InChIInChI=1S/C69H47F3N6/c1-68(69(70,71)72,60-42-38-58(39-43-60)66-75-62(54-30-22-50(23-31-54)46-14-6-2-7-15-46)73-63(76-66)55-32-24-51(25-33-55)47-16-8-3-9-17-47)61-44-40-59(41-45-61)67-77-64(56-34-26-52(27-35-56)48-18-10-4-11-19-48)74-65(78-67)57-36-28-53(29-37-57)49-20-12-5-13-21-49/h2-45H,1H3
InChIKeyFXOJQDFFPVPPEA-UHFFFAOYSA-N
MW1017.17 g/mol
LogP17.59
Rot. Bonds12

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

2-[4-[2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (PubChem CID 161085347) has the molecular formula C69H47F3N6 and a molecular weight of 1017.17 g/mol. Its IUPAC name is 2-[4-[2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
PubChem CID161085347
Molecular FormulaC69H47F3N6
Molecular Weight1017.17 g/mol
Exact Mass1016.38
IUPAC Name2-[4-[2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESCC(c1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1)(c1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1)C(F)(F)F
InChIInChI=1S/C69H47F3N6/c1-68(69(70,71)72,60-42-38-58(39-43-60)66-75-62(54-30-22-50(23-31-54)46-14-6-2-7-15-46)73-63(76-66)55-32-24-51(25-33-55)47-16-8-3-9-17-47)61-44-40-59(41-45-61)67-77-64(56-34-26-52(27-35-56)48-18-10-4-11-19-48)74-65(78-67)57-36-28-53(29-37-57)49-20-12-5-13-21-49/h2-45H,1H3
InChIKeyFXOJQDFFPVPPEA-UHFFFAOYSA-N
XLogP17.59
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001017.17
LogP ≤ 517.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine with MolForge

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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-[2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-[2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (CID 161085347) is 2-[4-[2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-[2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-[2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is CC(c1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1)(c1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1)C(F)(F)F.
What is the InChIKey of 2-[4-[2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is FXOJQDFFPVPPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H47F3N6/c1-68(69(70,71)72,60-42-38-58(39-43-60)66-75-62(54-30-22-50(23-31-54)46-14-6-2-7-15-46)73-63(76-66)55-32-24-51(25-33-55)47-16-8-3-9-17-47)61-44-40-59(41-45-61)67-77-64(56-34-26-52(27-35-56)48-18-10-4-11-19-48)74-65(78-67)57-36-28-53(29-37-57)49-20-12-5-13-21-49/h2-45H,1H3.
What are the key properties of 2-[4-[2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
2-[4-[2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 1017.17 g/mol, XLogP of 17.59, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 161085347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).