1-(2-hydroxy-3-pyridin-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-pyridin-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol

C30H28N2O2 — CID 137309329

IUPAC1-(2-hydroxy-3-pyridin-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-pyridin-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1c(-c2ccccn2)cc2c(c1-c1c(O)c(-c3ccccn3)cc3c1CCCC3)CCCC2
InChIInChI=1S/C30H28N2O2/c33-29-23(25-13-5-7-15-31-25)17-19-9-1-3-11-21(19)27(29)28-22-12-4-2-10-20(22)18-24(30(28)34)26-14-6-8-16-32-26/h5-8,13-18,33-34H,1-4,9-12H2
InChIKeyVZBGGXAYZMEJRH-UHFFFAOYSA-N
MW448.57 g/mol
LogP6.65
Rot. Bonds3

About 1-(2-hydroxy-3-pyridin-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-pyridin-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol

1-(2-hydroxy-3-pyridin-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-pyridin-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 137309329) has the molecular formula C30H28N2O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 1-(2-hydroxy-3-pyridin-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-pyridin-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name1-(2-hydroxy-3-pyridin-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-pyridin-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID137309329
Molecular FormulaC30H28N2O2
Molecular Weight448.57 g/mol
Exact Mass448.22
IUPAC Name1-(2-hydroxy-3-pyridin-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-pyridin-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1c(-c2ccccn2)cc2c(c1-c1c(O)c(-c3ccccn3)cc3c1CCCC3)CCCC2
InChIInChI=1S/C30H28N2O2/c33-29-23(25-13-5-7-15-31-25)17-19-9-1-3-11-21(19)27(29)28-22-12-4-2-10-20(22)18-24(30(28)34)26-14-6-8-16-32-26/h5-8,13-18,33-34H,1-4,9-12H2
InChIKeyVZBGGXAYZMEJRH-UHFFFAOYSA-N
XLogP6.65
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 56.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-hydroxy-3-pyridin-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-pyridin-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol with MolForge

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Related Compounds

6-Pyridin-3-ylnaphthalen-2-ol
CID 11514074
4-[5-(Pyridin-4-yl)-7,8-dihydronaphthalen-2-yl]benzene-1,2-diol
CID 25033660
4-[5-(Pyridin-4-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]benzene-1,2-diol
CID 25033728
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
2-Fluoro-4-[5-(pyridin-4-yl)-7,8-dihydronaphthalen-2-yl]phenol
CID 25033805
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
16,16-Diphenyl-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9(14),10,12-hexaen-10-ol chloride
CID 15281331
2-(3-Pyridylmethyl)-1-naphthol
CID 15617838
6-(3-Hydroxyphenyl)-1-(pyridin-3-yl)-2-naphthol
CID 24970356

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-pyridin-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-pyridin-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 1-(2-hydroxy-3-pyridin-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-pyridin-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol (CID 137309329) is 1-(2-hydroxy-3-pyridin-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-pyridin-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 1-(2-hydroxy-3-pyridin-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-pyridin-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 1-(2-hydroxy-3-pyridin-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-pyridin-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol is Oc1c(-c2ccccn2)cc2c(c1-c1c(O)c(-c3ccccn3)cc3c1CCCC3)CCCC2.
What is the InChIKey of 1-(2-hydroxy-3-pyridin-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-pyridin-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is VZBGGXAYZMEJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O2/c33-29-23(25-13-5-7-15-31-25)17-19-9-1-3-11-21(19)27(29)28-22-12-4-2-10-20(22)18-24(30(28)34)26-14-6-8-16-32-26/h5-8,13-18,33-34H,1-4,9-12H2.
What are the key properties of 1-(2-hydroxy-3-pyridin-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-pyridin-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol?
1-(2-hydroxy-3-pyridin-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-pyridin-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 448.57 g/mol, XLogP of 6.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-pyridin-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-pyridin-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 137309329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).