3-(2,6-dipyridin-2-yl-4-pyridinyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol

C35H23N3O2 — CID 135923267

IUPAC3-(2,6-dipyridin-2-yl-4-pyridinyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1c(O)c(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc2ccccc12
InChIInChI=1S/C35H23N3O2/c39-32-16-15-22-9-1-3-11-25(22)33(32)34-26-12-4-2-10-23(26)19-27(35(34)40)24-20-30(28-13-5-7-17-36-28)38-31(21-24)29-14-6-8-18-37-29/h1-21,39-40H
InChIKeySILFIBDMGJIDEK-UHFFFAOYSA-N
MW517.59 g/mol
LogP8.26
Rot. Bonds4

About 3-(2,6-dipyridin-2-yl-4-pyridinyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol

3-(2,6-dipyridin-2-yl-4-pyridinyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol (PubChem CID 135923267) has the molecular formula C35H23N3O2 and a molecular weight of 517.59 g/mol. Its IUPAC name is 3-(2,6-dipyridin-2-yl-4-pyridinyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol.

Molecular Properties

Compound Name3-(2,6-dipyridin-2-yl-4-pyridinyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
PubChem CID135923267
Molecular FormulaC35H23N3O2
Molecular Weight517.59 g/mol
Exact Mass517.18
IUPAC Name3-(2,6-dipyridin-2-yl-4-pyridinyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1c(O)c(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc2ccccc12
InChIInChI=1S/C35H23N3O2/c39-32-16-15-22-9-1-3-11-25(22)33(32)34-26-12-4-2-10-23(26)19-27(35(34)40)24-20-30(28-13-5-7-17-36-28)38-31(21-24)29-14-6-8-18-37-29/h1-21,39-40H
InChIKeySILFIBDMGJIDEK-UHFFFAOYSA-N
XLogP8.26
TPSA79.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.59
LogP ≤ 58.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-Pyridin-3-ylnaphthalen-2-ol
CID 11514074
6-[4-(Pyridin-4-ylmethyl)phenyl]naphthalen-2-ol
CID 46901929
(+)-7-(Propyl(2-(4-(4-(pyridin-4-yl)-phenyl)piperazin-1-yl)ethyl)amino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 52949727
2-(3-Pyridylmethyl)-1-naphthol
CID 15617838
6-(3-Hydroxyphenyl)-1-(pyridin-3-yl)-2-naphthol
CID 24970356
6-(3-Hydroxyphenyl)-1-(pyridin-4-yl)-2-naphthol
CID 135955190
3-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
CID 46887284
1-(Quinolin-3-ylaminomethyl)-naphthalen-2-ol
CID 951184
2-Pyridin-2-ylmethyl-naphthalen-1-ol
CID 15617857
5-[[(8-Hydroxyquinolin-5-yl)methyl-(naphthalen-1-ylmethyl)amino]methyl]quinolin-8-ol
CID 25268547
6-(4-(2-Methyl-1-(pyridin-4-yl)prop-1-enyl)phenyl)naphthalen-2-ol
CID 46854760
(-)-6-(Propyl(2-(4-(4-(pyridin-4-yl)-phenyl)piperazin-1-yl)ethyl)amino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 52948338

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dipyridin-2-yl-4-pyridinyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The IUPAC name of 3-(2,6-dipyridin-2-yl-4-pyridinyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol (CID 135923267) is 3-(2,6-dipyridin-2-yl-4-pyridinyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol.
What is the SMILES notation for 3-(2,6-dipyridin-2-yl-4-pyridinyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The canonical SMILES for 3-(2,6-dipyridin-2-yl-4-pyridinyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol is Oc1ccc2ccccc2c1-c1c(O)c(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc2ccccc12.
What is the InChIKey of 3-(2,6-dipyridin-2-yl-4-pyridinyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The InChIKey is SILFIBDMGJIDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N3O2/c39-32-16-15-22-9-1-3-11-25(22)33(32)34-26-12-4-2-10-23(26)19-27(35(34)40)24-20-30(28-13-5-7-17-36-28)38-31(21-24)29-14-6-8-18-37-29/h1-21,39-40H.
What are the key properties of 3-(2,6-dipyridin-2-yl-4-pyridinyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
3-(2,6-dipyridin-2-yl-4-pyridinyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol has a molecular weight of 517.59 g/mol, XLogP of 8.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dipyridin-2-yl-4-pyridinyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol is sourced from PubChem (CID 135923267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).