4-[3-[3-(3,5-dipyridin-4-ylphenyl)-2,4,5,6-tetrafluorophenyl]-5-pyridin-4-ylphenyl]pyridine

C38H22F4N4 — CID 132917715

IUPAC4-[3-[3-(3,5-dipyridin-4-ylphenyl)-2,4,5,6-tetrafluorophenyl]-5-pyridin-4-ylphenyl]pyridine
SMILESFc1c(F)c(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)c(F)c(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)c1F
InChIInChI=1S/C38H22F4N4/c39-35-33(31-19-27(23-1-9-43-10-2-23)17-28(20-31)24-3-11-44-12-4-24)36(40)38(42)37(41)34(35)32-21-29(25-5-13-45-14-6-25)18-30(22-32)26-7-15-46-16-8-26/h1-22H
InChIKeyCVTFAFJWPTXZBF-UHFFFAOYSA-N
MW610.61 g/mol
LogP9.82
Rot. Bonds6

About 4-[3-[3-(3,5-dipyridin-4-ylphenyl)-2,4,5,6-tetrafluorophenyl]-5-pyridin-4-ylphenyl]pyridine

4-[3-[3-(3,5-dipyridin-4-ylphenyl)-2,4,5,6-tetrafluorophenyl]-5-pyridin-4-ylphenyl]pyridine (PubChem CID 132917715) has the molecular formula C38H22F4N4 and a molecular weight of 610.61 g/mol. Its IUPAC name is 4-[3-[3-(3,5-dipyridin-4-ylphenyl)-2,4,5,6-tetrafluorophenyl]-5-pyridin-4-ylphenyl]pyridine.

Molecular Properties

Compound Name4-[3-[3-(3,5-dipyridin-4-ylphenyl)-2,4,5,6-tetrafluorophenyl]-5-pyridin-4-ylphenyl]pyridine
PubChem CID132917715
Molecular FormulaC38H22F4N4
Molecular Weight610.61 g/mol
Exact Mass610.18
IUPAC Name4-[3-[3-(3,5-dipyridin-4-ylphenyl)-2,4,5,6-tetrafluorophenyl]-5-pyridin-4-ylphenyl]pyridine
SMILESFc1c(F)c(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)c(F)c(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)c1F
InChIInChI=1S/C38H22F4N4/c39-35-33(31-19-27(23-1-9-43-10-2-23)17-28(20-31)24-3-11-44-12-4-24)36(40)38(42)37(41)34(35)32-21-29(25-5-13-45-14-6-25)18-30(22-32)26-7-15-46-16-8-26/h1-22H
InChIKeyCVTFAFJWPTXZBF-UHFFFAOYSA-N
XLogP9.82
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.61
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(2,3,4,5-tetrafluoro-6-pyridin-4-ylphenyl)pyridine
CID 87660487
5,10-bis(2,3,4,5,6-pentafluorophenyl)-15,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin
CID 154053299
4-(2,3,4,6-tetrafluorophenyl)pyridine
CID 46317135
2,4,6-tris(3,5-dipyridin-4-ylphenyl)-1,3,5-triazine
CID 102332851
4-pyridin-4-ylpyridine;1,2,4,5-tetrafluoro-3,6-diiodobenzene
CID 139205206
2-fluoro-4-(2,3,4,5,6-pentafluorophenyl)pyridine
CID 133088728
gold;4-pyridin-4-ylpyridine
CID 159917709
4-[4-(3-phenylphenyl)phenyl]pyridine
CID 58943522
4-pyridin-4-ylpyridine;bis(trifluoroborane)
CID 14319291
1,2,3,4,5-pentafluoro-6-[4-(4-phenylphenyl)phenyl]benzene
CID 102031632
ethane;4-pyridin-4-ylpyridine
CID 142013036
4-methylpyridine;4-pyridin-4-ylpyridine
CID 118057744

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(3,5-dipyridin-4-ylphenyl)-2,4,5,6-tetrafluorophenyl]-5-pyridin-4-ylphenyl]pyridine?
The IUPAC name of 4-[3-[3-(3,5-dipyridin-4-ylphenyl)-2,4,5,6-tetrafluorophenyl]-5-pyridin-4-ylphenyl]pyridine (CID 132917715) is 4-[3-[3-(3,5-dipyridin-4-ylphenyl)-2,4,5,6-tetrafluorophenyl]-5-pyridin-4-ylphenyl]pyridine.
What is the SMILES notation for 4-[3-[3-(3,5-dipyridin-4-ylphenyl)-2,4,5,6-tetrafluorophenyl]-5-pyridin-4-ylphenyl]pyridine?
The canonical SMILES for 4-[3-[3-(3,5-dipyridin-4-ylphenyl)-2,4,5,6-tetrafluorophenyl]-5-pyridin-4-ylphenyl]pyridine is Fc1c(F)c(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)c(F)c(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)c1F.
What is the InChIKey of 4-[3-[3-(3,5-dipyridin-4-ylphenyl)-2,4,5,6-tetrafluorophenyl]-5-pyridin-4-ylphenyl]pyridine?
The InChIKey is CVTFAFJWPTXZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22F4N4/c39-35-33(31-19-27(23-1-9-43-10-2-23)17-28(20-31)24-3-11-44-12-4-24)36(40)38(42)37(41)34(35)32-21-29(25-5-13-45-14-6-25)18-30(22-32)26-7-15-46-16-8-26/h1-22H.
What are the key properties of 4-[3-[3-(3,5-dipyridin-4-ylphenyl)-2,4,5,6-tetrafluorophenyl]-5-pyridin-4-ylphenyl]pyridine?
4-[3-[3-(3,5-dipyridin-4-ylphenyl)-2,4,5,6-tetrafluorophenyl]-5-pyridin-4-ylphenyl]pyridine has a molecular weight of 610.61 g/mol, XLogP of 9.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(3,5-dipyridin-4-ylphenyl)-2,4,5,6-tetrafluorophenyl]-5-pyridin-4-ylphenyl]pyridine is sourced from PubChem (CID 132917715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).