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

C30H21BrF3N3 — CID 158434657

IUPAC2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC(c1ccc(Br)cc1)(c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1)C(F)(F)F
InChIInChI=1S/C30H21BrF3N3/c1-29(30(32,33)34,24-16-18-25(31)19-17-24)23-14-12-22(13-15-23)28-36-26(20-8-4-2-5-9-20)35-27(37-28)21-10-6-3-7-11-21/h2-19H,1H3
InChIKeyXFTFFQAHECCSAW-UHFFFAOYSA-N
MW560.42 g/mol
LogP8.50
Rot. Bonds5

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

2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 158434657) has the molecular formula C30H21BrF3N3 and a molecular weight of 560.42 g/mol. Its IUPAC name is 2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID158434657
Molecular FormulaC30H21BrF3N3
Molecular Weight560.42 g/mol
Exact Mass559.09
IUPAC Name2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC(c1ccc(Br)cc1)(c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1)C(F)(F)F
InChIInChI=1S/C30H21BrF3N3/c1-29(30(32,33)34,24-16-18-25(31)19-17-24)23-14-12-22(13-15-23)28-36-26(20-8-4-2-5-9-20)35-27(37-28)21-10-6-3-7-11-21/h2-19H,1H3
InChIKeyXFTFFQAHECCSAW-UHFFFAOYSA-N
XLogP8.50
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.42
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(4-Bromophenyl)-4,6-diphenyl-1,3,5-triazine
CID 1728672
2,4,6-Tris(4-bromophenyl)-1,3,5-triazine
CID 35224
2-(3-Bromophenyl)-4,6-diphenyl-1,3,5-triazine
CID 58943302
2-(2-Bromophenyl)-4,6-diphenyl-1,3,5-triazine
CID 12689834
2,4,6-Tris(3-bromophenyl)-1,3,5-triazine
CID 57872377
2-(3'-Bromo-[1,1'-biphenyl]-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 90135706
6,6'-((Perfluoropropane-2,2-diyl)bis(4,1-phenylene))bis(2,4-diphenyl-1,3,5-triazine)
CID 139500797
2,4-Bis(4-tert-butylphenyl)-6-(4-ethenylphenyl)-1,3,5-triazine
CID 59439795
2,4-Di(4-biphenylyl)-6-(3-bromophenyl)-1,3,5-triazine
CID 90401467
2,4-Bis(4-tert-butylphenyl)-6-(4-fluorocyclohexa-1,3-dien-1-yl)-1,3,5-triazine
CID 58412070
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
2-[(4-Bromophenyl)methyl]-4-[(4-fluorophenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine;triazane
CID 67015904

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 158434657) is 2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is CC(c1ccc(Br)cc1)(c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1)C(F)(F)F.
What is the InChIKey of 2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is XFTFFQAHECCSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21BrF3N3/c1-29(30(32,33)34,24-16-18-25(31)19-17-24)23-14-12-22(13-15-23)28-36-26(20-8-4-2-5-9-20)35-27(37-28)21-10-6-3-7-11-21/h2-19H,1H3.
What are the key properties of 2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 560.42 g/mol, XLogP of 8.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 158434657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).