tris(2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine);2-[5-fluoro-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-5-methylpyrimidine;tris(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine)

C113H68F25N21 — CID 157242321

IUPACtris(2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine);2-[5-fluoro-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-5-methylpyrimidine;tris(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine)
SMILESCc1cnc(-c2cnc(-c3cc(F)c(F)c(F)c3)c(F)c2)nc1.Cc1cnc(-c2cnc(-c3cc(F)c(F)c(F)c3)c(F)c2)nc1.Cc1cnc(-c2cnc(-c3cc(F)c(F)c(F)c3)c(F)c2)nc1.Cc1cnc(-c2cnc(-c3ccc(C(F)(F)F)cc3)c(F)c2)nc1.Cc1cnc(-c2cnc(-c3ccc(F)c(F)c3)c(F)c2)nc1.Cc1cnc(-c2cnc(-c3ccc(F)c(F)c3)c(F)c2)nc1.Cc1cnc(-c2cnc(-c3ccc(F)c(F)c3)c(F)c2)nc1
InChIInChI=1S/C17H11F4N3.3C16H9F4N3.3C16H10F3N3/c1-10-7-23-16(24-8-10)12-6-14(18)15(22-9-12)11-2-4-13(5-3-11)17(19,20)21;3*1-8-5-22-16(23-6-8)10-4-13(19)15(21-7-10)9-2-11(17)14(20)12(18)3-9;3*1-9-6-21-16(22-7-9)11-5-14(19)15(20-8-11)10-2-3-12(17)13(18)4-10/h2-9H,1H3;3*2-7H,1H3;3*2-8H,1H3
InChIKeyAVIVRFLZHAXNHW-UHFFFAOYSA-N
MW2194.88 g/mol
LogP28.68
Rot. Bonds14

About tris(2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine);2-[5-fluoro-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-5-methylpyrimidine;tris(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine)

tris(2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine);2-[5-fluoro-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-5-methylpyrimidine;tris(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine) (PubChem CID 157242321) has the molecular formula C113H68F25N21 and a molecular weight of 2194.88 g/mol. Its IUPAC name is tris(2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine);2-[5-fluoro-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-5-methylpyrimidine;tris(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine).

Molecular Properties

Compound Nametris(2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine);2-[5-fluoro-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-5-methylpyrimidine;tris(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine)
PubChem CID157242321
Molecular FormulaC113H68F25N21
Molecular Weight2194.88 g/mol
Exact Mass2193.56
IUPAC Nametris(2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine);2-[5-fluoro-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-5-methylpyrimidine;tris(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine)
SMILESCc1cnc(-c2cnc(-c3cc(F)c(F)c(F)c3)c(F)c2)nc1.Cc1cnc(-c2cnc(-c3cc(F)c(F)c(F)c3)c(F)c2)nc1.Cc1cnc(-c2cnc(-c3cc(F)c(F)c(F)c3)c(F)c2)nc1.Cc1cnc(-c2cnc(-c3ccc(C(F)(F)F)cc3)c(F)c2)nc1.Cc1cnc(-c2cnc(-c3ccc(F)c(F)c3)c(F)c2)nc1.Cc1cnc(-c2cnc(-c3ccc(F)c(F)c3)c(F)c2)nc1.Cc1cnc(-c2cnc(-c3ccc(F)c(F)c3)c(F)c2)nc1
InChIInChI=1S/C17H11F4N3.3C16H9F4N3.3C16H10F3N3/c1-10-7-23-16(24-8-10)12-6-14(18)15(22-9-12)11-2-4-13(5-3-11)17(19,20)21;3*1-8-5-22-16(23-6-8)10-4-13(19)15(21-7-10)9-2-11(17)14(20)12(18)3-9;3*1-9-6-21-16(22-7-9)11-5-14(19)15(20-8-11)10-2-3-12(17)13(18)4-10/h2-9H,1H3;3*2-7H,1H3;3*2-8H,1H3
InChIKeyAVIVRFLZHAXNHW-UHFFFAOYSA-N
XLogP28.68
TPSA270.69 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds14
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002194.88
LogP ≤ 528.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze tris(2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine);2-[5-fluoro-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-5-methylpyrimidine;tris(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine) with MolForge

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Related Compounds

7-(4-Pyrimidin-5-yl-phenyl)-6-p-tolyl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10293769
4-{4-[6-Methyl-4-(4-trifluoromethyl-phenyl)-pyridin-2-yl]-pyrimidin-2-yl}-pyridin-2-ylamine
CID 24760659
4-[4-Trifluoromethyl-6-(6-trifluoromethyl-pyridin-3-yl)-pyrimidin-2-yl]-[2,3']bipyridinyl-6'-ylamine
CID 86624638
2,7-Bis(di-2-pyridylfluoromethyl)-1,8-naphthyridine
CID 102367352
4-(4-Fluorophenyl)-2-pyridin-3-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 4387545
Tetrakis(acetonitrile);bis(copper(1+));2,7-dipyridin-2-yl-1,8-naphthyridine;bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139240742
B3PyMPM
CID 58556437
4,6-Bis(3,5-di(pyridin-4-yl)phenyl)-2-methylpyrimidine
CID 67967165
4,6-Bis(3,5-di(pyridin-4-yl)phenyl)-2-phenylpyrimidine
CID 89441393
2-Phenyl-4,6-bis(3,5-dipyridylphenyl)pyrimidine
CID 101791711
4,6-Bis(3,5-di(pyridin-3-yl)phenyl)-2-(pyridin-3-yl)pyrimidine
CID 102345540
2,4,6-Tris(3'-(pyridin-2yl)biphenyl-3-yl)-1,3,5-triazine
CID 129849643

Frequently Asked Questions

What is the IUPAC name of tris(2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine);2-[5-fluoro-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-5-methylpyrimidine;tris(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine)?
The IUPAC name of tris(2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine);2-[5-fluoro-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-5-methylpyrimidine;tris(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine) (CID 157242321) is tris(2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine);2-[5-fluoro-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-5-methylpyrimidine;tris(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine).
What is the SMILES notation for tris(2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine);2-[5-fluoro-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-5-methylpyrimidine;tris(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine)?
The canonical SMILES for tris(2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine);2-[5-fluoro-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-5-methylpyrimidine;tris(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine) is Cc1cnc(-c2cnc(-c3cc(F)c(F)c(F)c3)c(F)c2)nc1.Cc1cnc(-c2cnc(-c3cc(F)c(F)c(F)c3)c(F)c2)nc1.Cc1cnc(-c2cnc(-c3cc(F)c(F)c(F)c3)c(F)c2)nc1.Cc1cnc(-c2cnc(-c3ccc(C(F)(F)F)cc3)c(F)c2)nc1.Cc1cnc(-c2cnc(-c3ccc(F)c(F)c3)c(F)c2)nc1.Cc1cnc(-c2cnc(-c3ccc(F)c(F)c3)c(F)c2)nc1.Cc1cnc(-c2cnc(-c3ccc(F)c(F)c3)c(F)c2)nc1.
What is the InChIKey of tris(2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine);2-[5-fluoro-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-5-methylpyrimidine;tris(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine)?
The InChIKey is AVIVRFLZHAXNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4N3.3C16H9F4N3.3C16H10F3N3/c1-10-7-23-16(24-8-10)12-6-14(18)15(22-9-12)11-2-4-13(5-3-11)17(19,20)21;3*1-8-5-22-16(23-6-8)10-4-13(19)15(21-7-10)9-2-11(17)14(20)12(18)3-9;3*1-9-6-21-16(22-7-9)11-5-14(19)15(20-8-11)10-2-3-12(17)13(18)4-10/h2-9H,1H3;3*2-7H,1H3;3*2-8H,1H3.
What are the key properties of tris(2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine);2-[5-fluoro-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-5-methylpyrimidine;tris(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine)?
tris(2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine);2-[5-fluoro-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-5-methylpyrimidine;tris(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine) has a molecular weight of 2194.88 g/mol, XLogP of 28.68, 14 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine);2-[5-fluoro-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-5-methylpyrimidine;tris(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine) is sourced from PubChem (CID 157242321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).