2-[2,6-bis(6-pyridin-3-yl-2-pyridinyl)-4-pyridinyl]-6-phenyl-4-(trifluoromethyl)pyridine

C37H23F3N6 — CID 71134890

IUPAC2-[2,6-bis(6-pyridin-3-yl-2-pyridinyl)-4-pyridinyl]-6-phenyl-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(-c2ccccc2)nc(-c2cc(-c3cccc(-c4cccnc4)n3)nc(-c3cccc(-c4cccnc4)n3)c2)c1
InChIInChI=1S/C37H23F3N6/c38-37(39,40)28-20-33(24-8-2-1-3-9-24)45-34(21-28)27-18-35(31-14-4-12-29(43-31)25-10-6-16-41-22-25)46-36(19-27)32-15-5-13-30(44-32)26-11-7-17-42-23-26/h1-23H
InChIKeyMMAAMBJNIGYTJX-UHFFFAOYSA-N
MW608.63 g/mol
LogP9.08
Rot. Bonds6

About 2-[2,6-bis(6-pyridin-3-yl-2-pyridinyl)-4-pyridinyl]-6-phenyl-4-(trifluoromethyl)pyridine

2-[2,6-bis(6-pyridin-3-yl-2-pyridinyl)-4-pyridinyl]-6-phenyl-4-(trifluoromethyl)pyridine (PubChem CID 71134890) has the molecular formula C37H23F3N6 and a molecular weight of 608.63 g/mol. Its IUPAC name is 2-[2,6-bis(6-pyridin-3-yl-2-pyridinyl)-4-pyridinyl]-6-phenyl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[2,6-bis(6-pyridin-3-yl-2-pyridinyl)-4-pyridinyl]-6-phenyl-4-(trifluoromethyl)pyridine
PubChem CID71134890
Molecular FormulaC37H23F3N6
Molecular Weight608.63 g/mol
Exact Mass608.19
IUPAC Name2-[2,6-bis(6-pyridin-3-yl-2-pyridinyl)-4-pyridinyl]-6-phenyl-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(-c2ccccc2)nc(-c2cc(-c3cccc(-c4cccnc4)n3)nc(-c3cccc(-c4cccnc4)n3)c2)c1
InChIInChI=1S/C37H23F3N6/c38-37(39,40)28-20-33(24-8-2-1-3-9-24)45-34(21-28)27-18-35(31-14-4-12-29(43-31)25-10-6-16-41-22-25)46-36(19-27)32-15-5-13-30(44-32)26-11-7-17-42-23-26/h1-23H
InChIKeyMMAAMBJNIGYTJX-UHFFFAOYSA-N
XLogP9.08
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.63
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2,6-bis(6-pyridin-3-yl-2-pyridinyl)-4-pyridinyl]-6-phenyl-4-(trifluoromethyl)pyridine with MolForge

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Related Compounds

2-[3,5-bis[6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyridine
CID 58090487
2,4-diphenyl-6-pyridin-3-ylpyridine
CID 3477432
2-phenyl-6-pyridin-2-yl-4-(trifluoromethyl)pyridine
CID 135069582
2,6-dipyridin-3-ylpyridine
CID 13349632
4-(3,5-dipyridin-3-ylphenyl)-2,6-diphenylpyridine
CID 58518535
3-[3,5-bis(trifluoromethyl)phenyl]pyridine
CID 46315288
3-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]pyridine
CID 46316443
2,4-diphenyl-6-(3-pyridin-3-yl-5-pyridin-4-ylphenyl)pyridine
CID 118582495
2-[4-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-6-(2-phenylquinolin-6-yl)quinoline;2-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-(2-pyridin-2-ylquinolin-6-yl)quinoline
CID 159059555
2-(2-pyridin-3-yl-4-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 86615453
4-(2,6-diphenylpyrimidin-4-yl)-6-[4-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-2-pyridin-3-ylpyrimidine
CID 167146178
4-chloro-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 156866103

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-bis(6-pyridin-3-yl-2-pyridinyl)-4-pyridinyl]-6-phenyl-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-[2,6-bis(6-pyridin-3-yl-2-pyridinyl)-4-pyridinyl]-6-phenyl-4-(trifluoromethyl)pyridine (CID 71134890) is 2-[2,6-bis(6-pyridin-3-yl-2-pyridinyl)-4-pyridinyl]-6-phenyl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[2,6-bis(6-pyridin-3-yl-2-pyridinyl)-4-pyridinyl]-6-phenyl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[2,6-bis(6-pyridin-3-yl-2-pyridinyl)-4-pyridinyl]-6-phenyl-4-(trifluoromethyl)pyridine is FC(F)(F)c1cc(-c2ccccc2)nc(-c2cc(-c3cccc(-c4cccnc4)n3)nc(-c3cccc(-c4cccnc4)n3)c2)c1.
What is the InChIKey of 2-[2,6-bis(6-pyridin-3-yl-2-pyridinyl)-4-pyridinyl]-6-phenyl-4-(trifluoromethyl)pyridine?
The InChIKey is MMAAMBJNIGYTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23F3N6/c38-37(39,40)28-20-33(24-8-2-1-3-9-24)45-34(21-28)27-18-35(31-14-4-12-29(43-31)25-10-6-16-41-22-25)46-36(19-27)32-15-5-13-30(44-32)26-11-7-17-42-23-26/h1-23H.
What are the key properties of 2-[2,6-bis(6-pyridin-3-yl-2-pyridinyl)-4-pyridinyl]-6-phenyl-4-(trifluoromethyl)pyridine?
2-[2,6-bis(6-pyridin-3-yl-2-pyridinyl)-4-pyridinyl]-6-phenyl-4-(trifluoromethyl)pyridine has a molecular weight of 608.63 g/mol, XLogP of 9.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis(6-pyridin-3-yl-2-pyridinyl)-4-pyridinyl]-6-phenyl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 71134890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).