[4-(cyclohexen-1-yl)-5-phenyl-2-pyridin-2-yl-3-pyridinyl]-difluoroborane

C22H19BF2N2 — CID 122389721

IUPAC[4-(cyclohexen-1-yl)-5-phenyl-2-pyridin-2-yl-3-pyridinyl]-difluoroborane
SMILESFB(F)c1c(-c2ccccn2)ncc(-c2ccccc2)c1C1=CCCCC1
InChIInChI=1S/C22H19BF2N2/c24-23(25)21-20(17-11-5-2-6-12-17)18(16-9-3-1-4-10-16)15-27-22(21)19-13-7-8-14-26-19/h1,3-4,7-11,13-15H,2,5-6,12H2
InChIKeyKFJVHKCNSNQVNU-UHFFFAOYSA-N
MW360.22 g/mol
LogP5.40
Rot. Bonds4

About [4-(cyclohexen-1-yl)-5-phenyl-2-pyridin-2-yl-3-pyridinyl]-difluoroborane

[4-(cyclohexen-1-yl)-5-phenyl-2-pyridin-2-yl-3-pyridinyl]-difluoroborane (PubChem CID 122389721) has the molecular formula C22H19BF2N2 and a molecular weight of 360.22 g/mol. Its IUPAC name is [4-(cyclohexen-1-yl)-5-phenyl-2-pyridin-2-yl-3-pyridinyl]-difluoroborane.

Molecular Properties

Compound Name[4-(cyclohexen-1-yl)-5-phenyl-2-pyridin-2-yl-3-pyridinyl]-difluoroborane
PubChem CID122389721
Molecular FormulaC22H19BF2N2
Molecular Weight360.22 g/mol
Exact Mass360.16
IUPAC Name[4-(cyclohexen-1-yl)-5-phenyl-2-pyridin-2-yl-3-pyridinyl]-difluoroborane
SMILESFB(F)c1c(-c2ccccn2)ncc(-c2ccccc2)c1C1=CCCCC1
InChIInChI=1S/C22H19BF2N2/c24-23(25)21-20(17-11-5-2-6-12-17)18(16-9-3-1-4-10-16)15-27-22(21)19-13-7-8-14-26-19/h1,3-4,7-11,13-15H,2,5-6,12H2
InChIKeyKFJVHKCNSNQVNU-UHFFFAOYSA-N
XLogP5.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.22
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-(cyclohexen-1-yl)-5-phenyl-2-pyridin-2-yl-3-pyridinyl]-difluoroborane with MolForge

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Related Compounds

1-(2-phenylphenyl)cycloheptene
CID 71332036
5,8-diphenyl-2,3-dipyridin-2-ylquinoxaline
CID 58161745
2,3,4,5-tetrapyridin-2-ylpyridine
CID 22045955
1,4-dipyridin-2-yl-5,6,7,8-tetrahydrophthalazine
CID 15911741
1-(4-phenylphenyl)cycloheptene
CID 58982123
4-(cyclohexen-1-yl)-N-methoxy-1-(1-methoxyethenyl)-N-methyl-3-pyridin-2-ylpyrazol-5-amine
CID 139363775
3,6-diphenyl-2-pyridin-2-ylpyridine
CID 11652473
3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-5-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine
CID 142295559
5,8,13,16-tetrapyridin-2-yl-6,7,14,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene
CID 101424910
1,1'-biphenyl;2,3-dipyridin-2-ylpyridine
CID 67006222
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
2-(cyclohepten-1-yl)-4,5-diphenyl-1,3-oxazole
CID 140988457

Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexen-1-yl)-5-phenyl-2-pyridin-2-yl-3-pyridinyl]-difluoroborane?
The IUPAC name of [4-(cyclohexen-1-yl)-5-phenyl-2-pyridin-2-yl-3-pyridinyl]-difluoroborane (CID 122389721) is [4-(cyclohexen-1-yl)-5-phenyl-2-pyridin-2-yl-3-pyridinyl]-difluoroborane.
What is the SMILES notation for [4-(cyclohexen-1-yl)-5-phenyl-2-pyridin-2-yl-3-pyridinyl]-difluoroborane?
The canonical SMILES for [4-(cyclohexen-1-yl)-5-phenyl-2-pyridin-2-yl-3-pyridinyl]-difluoroborane is FB(F)c1c(-c2ccccn2)ncc(-c2ccccc2)c1C1=CCCCC1.
What is the InChIKey of [4-(cyclohexen-1-yl)-5-phenyl-2-pyridin-2-yl-3-pyridinyl]-difluoroborane?
The InChIKey is KFJVHKCNSNQVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BF2N2/c24-23(25)21-20(17-11-5-2-6-12-17)18(16-9-3-1-4-10-16)15-27-22(21)19-13-7-8-14-26-19/h1,3-4,7-11,13-15H,2,5-6,12H2.
What are the key properties of [4-(cyclohexen-1-yl)-5-phenyl-2-pyridin-2-yl-3-pyridinyl]-difluoroborane?
[4-(cyclohexen-1-yl)-5-phenyl-2-pyridin-2-yl-3-pyridinyl]-difluoroborane has a molecular weight of 360.22 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohexen-1-yl)-5-phenyl-2-pyridin-2-yl-3-pyridinyl]-difluoroborane is sourced from PubChem (CID 122389721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).