6-difluoroboranyloxy-2,7-dimethyl-4,5-dipyridin-2-ylphenanthren-3-ol

C26H19BF2N2O2 — CID 136661086

IUPAC6-difluoroboranyloxy-2,7-dimethyl-4,5-dipyridin-2-ylphenanthren-3-ol
SMILESCc1cc2ccc3cc(C)c(OB(F)F)c(-c4ccccn4)c3c2c(-c2ccccn2)c1O
InChIInChI=1S/C26H19BF2N2O2/c1-15-13-17-9-10-18-14-16(2)26(33-27(28)29)24(20-8-4-6-12-31-20)22(18)21(17)23(25(15)32)19-7-3-5-11-30-19/h3-14,32H,1-2H3
InChIKeyYLNJANPJDVCABI-UHFFFAOYSA-N
MW440.26 g/mol
LogP6.74
Rot. Bonds4

About 6-difluoroboranyloxy-2,7-dimethyl-4,5-dipyridin-2-ylphenanthren-3-ol

6-difluoroboranyloxy-2,7-dimethyl-4,5-dipyridin-2-ylphenanthren-3-ol (PubChem CID 136661086) has the molecular formula C26H19BF2N2O2 and a molecular weight of 440.26 g/mol. Its IUPAC name is 6-difluoroboranyloxy-2,7-dimethyl-4,5-dipyridin-2-ylphenanthren-3-ol.

Molecular Properties

Compound Name6-difluoroboranyloxy-2,7-dimethyl-4,5-dipyridin-2-ylphenanthren-3-ol
PubChem CID136661086
Molecular FormulaC26H19BF2N2O2
Molecular Weight440.26 g/mol
Exact Mass440.15
IUPAC Name6-difluoroboranyloxy-2,7-dimethyl-4,5-dipyridin-2-ylphenanthren-3-ol
SMILESCc1cc2ccc3cc(C)c(OB(F)F)c(-c4ccccn4)c3c2c(-c2ccccn2)c1O
InChIInChI=1S/C26H19BF2N2O2/c1-15-13-17-9-10-18-14-16(2)26(33-27(28)29)24(20-8-4-6-12-31-20)22(18)21(17)23(25(15)32)19-7-3-5-11-30-19/h3-14,32H,1-2H3
InChIKeyYLNJANPJDVCABI-UHFFFAOYSA-N
XLogP6.74
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.26
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-Pyridin-3-ylnaphthalen-2-ol
CID 11514074
2-Fluoro-4-[5-(pyridin-4-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]phenol
CID 25033811
6-[4-(Pyridin-4-ylmethyl)phenyl]naphthalen-2-ol
CID 46901929
1-[[Ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol
CID 2396090
Dibenzo[f,h]quinolin-7-ol
CID 219962
(2R,3R,4aR,10aR)-4a-ethyl-3-methyl-2-pyridin-2-yl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol
CID 10450738
2-(3-Pyridylmethyl)-1-naphthol
CID 15617838
6-(3-Hydroxyphenyl)-1-(pyridin-3-yl)-2-naphthol
CID 24970356
6-(3-Hydroxyphenyl)-1-(6-methoxypyridin-3-yl)naphthalen-2-ol
CID 25069763
6-(3-Hydroxyphenyl)-1-(pyridin-4-yl)-2-naphthol
CID 135955190
3-(4-Phenyl-6-pyridin-4-yl-2-pyridinyl)phenol
CID 46861757
3-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
CID 46887284

Frequently Asked Questions

What is the IUPAC name of 6-difluoroboranyloxy-2,7-dimethyl-4,5-dipyridin-2-ylphenanthren-3-ol?
The IUPAC name of 6-difluoroboranyloxy-2,7-dimethyl-4,5-dipyridin-2-ylphenanthren-3-ol (CID 136661086) is 6-difluoroboranyloxy-2,7-dimethyl-4,5-dipyridin-2-ylphenanthren-3-ol.
What is the SMILES notation for 6-difluoroboranyloxy-2,7-dimethyl-4,5-dipyridin-2-ylphenanthren-3-ol?
The canonical SMILES for 6-difluoroboranyloxy-2,7-dimethyl-4,5-dipyridin-2-ylphenanthren-3-ol is Cc1cc2ccc3cc(C)c(OB(F)F)c(-c4ccccn4)c3c2c(-c2ccccn2)c1O.
What is the InChIKey of 6-difluoroboranyloxy-2,7-dimethyl-4,5-dipyridin-2-ylphenanthren-3-ol?
The InChIKey is YLNJANPJDVCABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19BF2N2O2/c1-15-13-17-9-10-18-14-16(2)26(33-27(28)29)24(20-8-4-6-12-31-20)22(18)21(17)23(25(15)32)19-7-3-5-11-30-19/h3-14,32H,1-2H3.
What are the key properties of 6-difluoroboranyloxy-2,7-dimethyl-4,5-dipyridin-2-ylphenanthren-3-ol?
6-difluoroboranyloxy-2,7-dimethyl-4,5-dipyridin-2-ylphenanthren-3-ol has a molecular weight of 440.26 g/mol, XLogP of 6.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-difluoroboranyloxy-2,7-dimethyl-4,5-dipyridin-2-ylphenanthren-3-ol is sourced from PubChem (CID 136661086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).