4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline

C35H22F6N4 — CID 59711266

IUPAC4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline
SMILESFC(F)(F)c1ccc(-c2nc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C35H22F6N4/c36-34(37,38)26-17-11-23(12-18-26)31-42-32(24-13-19-27(20-14-24)35(39,40)41)44-33(43-31)25-15-21-30(22-16-25)45(28-7-3-1-4-8-28)29-9-5-2-6-10-29/h1-22H
InChIKeyWVXNKOWVBDLNSJ-UHFFFAOYSA-N
MW612.58 g/mol
LogP10.38
Rot. Bonds6

About 4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline

4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline (PubChem CID 59711266) has the molecular formula C35H22F6N4 and a molecular weight of 612.58 g/mol. Its IUPAC name is 4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline
PubChem CID59711266
Molecular FormulaC35H22F6N4
Molecular Weight612.58 g/mol
Exact Mass612.17
IUPAC Name4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline
SMILESFC(F)(F)c1ccc(-c2nc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C35H22F6N4/c36-34(37,38)26-17-11-23(12-18-26)31-42-32(24-13-19-27(20-14-24)35(39,40)41)44-33(43-31)25-15-21-30(22-16-25)45(28-7-3-1-4-8-28)29-9-5-2-6-10-29/h1-22H
InChIKeyWVXNKOWVBDLNSJ-UHFFFAOYSA-N
XLogP10.38
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.58
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline (CID 59711266) is 4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline is FC(F)(F)c1ccc(-c2nc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline?
The InChIKey is WVXNKOWVBDLNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22F6N4/c36-34(37,38)26-17-11-23(12-18-26)31-42-32(24-13-19-27(20-14-24)35(39,40)41)44-33(43-31)25-15-21-30(22-16-25)45(28-7-3-1-4-8-28)29-9-5-2-6-10-29/h1-22H.
What are the key properties of 4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline?
4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline has a molecular weight of 612.58 g/mol, XLogP of 10.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline is sourced from PubChem (CID 59711266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).