(6-difluoroboranyloxy-4,5-dipyridin-2-ylphenanthren-3-yl)oxy-difluoroborane

C24H14B2F4N2O2 — CID 91744380

IUPAC(6-difluoroboranyloxy-4,5-dipyridin-2-ylphenanthren-3-yl)oxy-difluoroborane
SMILESFB(F)Oc1ccc2ccc3ccc(OB(F)F)c(-c4ccccn4)c3c2c1-c1ccccn1
InChIInChI=1S/C24H14B2F4N2O2/c27-25(28)33-19-11-9-15-7-8-16-10-12-20(34-26(29)30)24(18-6-2-4-14-32-18)22(16)21(15)23(19)17-5-1-3-13-31-17/h1-14H
InChIKeyYZQAWRPRNIQAEB-UHFFFAOYSA-N
MW460.00 g/mol
LogP6.72
Rot. Bonds6

About (6-difluoroboranyloxy-4,5-dipyridin-2-ylphenanthren-3-yl)oxy-difluoroborane

(6-difluoroboranyloxy-4,5-dipyridin-2-ylphenanthren-3-yl)oxy-difluoroborane (PubChem CID 91744380) has the molecular formula C24H14B2F4N2O2 and a molecular weight of 460.00 g/mol. Its IUPAC name is (6-difluoroboranyloxy-4,5-dipyridin-2-ylphenanthren-3-yl)oxy-difluoroborane.

Molecular Properties

Compound Name(6-difluoroboranyloxy-4,5-dipyridin-2-ylphenanthren-3-yl)oxy-difluoroborane
PubChem CID91744380
Molecular FormulaC24H14B2F4N2O2
Molecular Weight460.00 g/mol
Exact Mass460.12
IUPAC Name(6-difluoroboranyloxy-4,5-dipyridin-2-ylphenanthren-3-yl)oxy-difluoroborane
SMILESFB(F)Oc1ccc2ccc3ccc(OB(F)F)c(-c4ccccn4)c3c2c1-c1ccccn1
InChIInChI=1S/C24H14B2F4N2O2/c27-25(28)33-19-11-9-15-7-8-16-10-12-20(34-26(29)30)24(18-6-2-4-14-32-18)22(16)21(15)23(19)17-5-1-3-13-31-17/h1-14H
InChIKeyYZQAWRPRNIQAEB-UHFFFAOYSA-N
XLogP6.72
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.00
LogP ≤ 56.72
H-Bond Donors ≤ 50
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-(3-Hydroxyphenyl)-1-(pyridin-3-yl)-2-naphthol
CID 24970356
6-(3-Hydroxyphenyl)-1-(pyridin-4-yl)-2-naphthol
CID 135955190
3-(2-Methoxy-6-pyridin-3-yl-1-naphthyl)pyridine
CID 11544136
2-Pyridin-2-ylmethyl-naphthalen-1-ol
CID 15617857
6-(3-Pyridin-4-ylphenyl)naphthalen-2-ol
CID 24936181
3-[(E)-N-hydroxy-C-[(E)-2-pyridin-3-ylethenyl]carbonimidoyl]naphthalen-2-ol
CID 136094869
3-[(E)-N-hydroxy-C-[(E)-2-pyridin-4-ylethenyl]carbonimidoyl]naphthalen-2-ol
CID 136094870
3-[(E)-N-hydroxy-C-[(E)-2-pyridin-2-ylethenyl]carbonimidoyl]naphthalen-2-ol
CID 136094875
13-Hydroxy-10,16-dipyridin-3-yl-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 146294472
Beryllium, bis(benzo(h)quinolin-10-olato-kappaN1,kappaO10)-, (T-4)-
CID 22596848
Beryllium;2-pyridin-2-ylphenolate
CID 100943966
6-(4-Fluorophenyl)-1-pyridin-3-ylnaphthalen-2-ol
CID 44446304

Frequently Asked Questions

What is the IUPAC name of (6-difluoroboranyloxy-4,5-dipyridin-2-ylphenanthren-3-yl)oxy-difluoroborane?
The IUPAC name of (6-difluoroboranyloxy-4,5-dipyridin-2-ylphenanthren-3-yl)oxy-difluoroborane (CID 91744380) is (6-difluoroboranyloxy-4,5-dipyridin-2-ylphenanthren-3-yl)oxy-difluoroborane.
What is the SMILES notation for (6-difluoroboranyloxy-4,5-dipyridin-2-ylphenanthren-3-yl)oxy-difluoroborane?
The canonical SMILES for (6-difluoroboranyloxy-4,5-dipyridin-2-ylphenanthren-3-yl)oxy-difluoroborane is FB(F)Oc1ccc2ccc3ccc(OB(F)F)c(-c4ccccn4)c3c2c1-c1ccccn1.
What is the InChIKey of (6-difluoroboranyloxy-4,5-dipyridin-2-ylphenanthren-3-yl)oxy-difluoroborane?
The InChIKey is YZQAWRPRNIQAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14B2F4N2O2/c27-25(28)33-19-11-9-15-7-8-16-10-12-20(34-26(29)30)24(18-6-2-4-14-32-18)22(16)21(15)23(19)17-5-1-3-13-31-17/h1-14H.
What are the key properties of (6-difluoroboranyloxy-4,5-dipyridin-2-ylphenanthren-3-yl)oxy-difluoroborane?
(6-difluoroboranyloxy-4,5-dipyridin-2-ylphenanthren-3-yl)oxy-difluoroborane has a molecular weight of 460.00 g/mol, XLogP of 6.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-difluoroboranyloxy-4,5-dipyridin-2-ylphenanthren-3-yl)oxy-difluoroborane is sourced from PubChem (CID 91744380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).