2-[3-[3,5-bis(trifluoromethyl)phenyl]-5-chlorophenyl]-4,6-diphenyl-1,3,5-triazine

C29H16ClF6N3 — CID 178144104

IUPAC2-[3-[3,5-bis(trifluoromethyl)phenyl]-5-chlorophenyl]-4,6-diphenyl-1,3,5-triazine
SMILESFC(F)(F)c1cc(-c2cc(Cl)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C29H16ClF6N3/c30-24-14-19(20-12-22(28(31,32)33)16-23(13-20)29(34,35)36)11-21(15-24)27-38-25(17-7-3-1-4-8-17)37-26(39-27)18-9-5-2-6-10-18/h1-16H
InChIKeyZTZMHRKMSANGDZ-UHFFFAOYSA-N
MW555.91 g/mol
LogP9.23
Rot. Bonds4

About 2-[3-[3,5-bis(trifluoromethyl)phenyl]-5-chlorophenyl]-4,6-diphenyl-1,3,5-triazine

2-[3-[3,5-bis(trifluoromethyl)phenyl]-5-chlorophenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 178144104) has the molecular formula C29H16ClF6N3 and a molecular weight of 555.91 g/mol. Its IUPAC name is 2-[3-[3,5-bis(trifluoromethyl)phenyl]-5-chlorophenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[3,5-bis(trifluoromethyl)phenyl]-5-chlorophenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID178144104
Molecular FormulaC29H16ClF6N3
Molecular Weight555.91 g/mol
Exact Mass555.09
IUPAC Name2-[3-[3,5-bis(trifluoromethyl)phenyl]-5-chlorophenyl]-4,6-diphenyl-1,3,5-triazine
SMILESFC(F)(F)c1cc(-c2cc(Cl)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C29H16ClF6N3/c30-24-14-19(20-12-22(28(31,32)33)16-23(13-20)29(34,35)36)11-21(15-24)27-38-25(17-7-3-1-4-8-17)37-26(39-27)18-9-5-2-6-10-18/h1-16H
InChIKeyZTZMHRKMSANGDZ-UHFFFAOYSA-N
XLogP9.23
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.91
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-[3,5-bis(trifluoromethyl)phenyl]-5-chlorophenyl]-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-Bis(4-biphenylyl)-6-chloro-1,3,5-triazine
CID 22476006
2-Chloro-4,6-di(naphthalen-1-yl)-1,3,5-triazine
CID 23546878
2,4,6-Tris(4-chlorophenyl)-1,3,5-triazine
CID 18373
2-(3'-Chlorobiphenyl-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 90177101
2-(4'-Chlorobiphenyl-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 90177143
2-(3'-Chlorobiphenyl-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 91972125
2-([1,1'-Biphenyl]-3-yl)-4-chloro-6-phenyl-1,3,5-triazine
CID 117991326
2-Chloro-4-(3-chlorophenyl)-6-phenyl-1,3,5-triazine
CID 135383450
2-(p-Chlorophenyl)-4,6-di(p-tolyl)-1,3,5-triazine
CID 576098
2,4-Bis(4-chlorophenyl)-6-phenyl-1,3,5-triazine
CID 586534
2-(3-Chlorophenyl)-4,6-diphenyl-1,3,5-triazine
CID 72698464
2,4,6-Tris(m-(2-trifluoromethyl)phenyl)1,3,5-triazine
CID 154926588

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,5-bis(trifluoromethyl)phenyl]-5-chlorophenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-[3,5-bis(trifluoromethyl)phenyl]-5-chlorophenyl]-4,6-diphenyl-1,3,5-triazine (CID 178144104) is 2-[3-[3,5-bis(trifluoromethyl)phenyl]-5-chlorophenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-[3,5-bis(trifluoromethyl)phenyl]-5-chlorophenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-[3,5-bis(trifluoromethyl)phenyl]-5-chlorophenyl]-4,6-diphenyl-1,3,5-triazine is FC(F)(F)c1cc(-c2cc(Cl)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-[3,5-bis(trifluoromethyl)phenyl]-5-chlorophenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is ZTZMHRKMSANGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H16ClF6N3/c30-24-14-19(20-12-22(28(31,32)33)16-23(13-20)29(34,35)36)11-21(15-24)27-38-25(17-7-3-1-4-8-17)37-26(39-27)18-9-5-2-6-10-18/h1-16H.
What are the key properties of 2-[3-[3,5-bis(trifluoromethyl)phenyl]-5-chlorophenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-[3,5-bis(trifluoromethyl)phenyl]-5-chlorophenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 555.91 g/mol, XLogP of 9.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3,5-bis(trifluoromethyl)phenyl]-5-chlorophenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 178144104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).