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

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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).