1-[2-hydroxy-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-1-yl]-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-2-ol

C40H26N4O2 — CID 177474104

IUPAC1-[2-hydroxy-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-1-yl]-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-2-ol
SMILESOc1c(-c2cccc(-c3ccccn3)n2)cc2ccccc2c1-c1c(O)c(-c2cccc(-c3ccccn3)n2)cc2ccccc12
InChIInChI=1S/C40H26N4O2/c45-39-29(31-17-9-19-35(43-31)33-15-5-7-21-41-33)23-25-11-1-3-13-27(25)37(39)38-28-14-4-2-12-26(28)24-30(40(38)46)32-18-10-20-36(44-32)34-16-6-8-22-42-34/h1-24,45-46H
InChIKeyYGYADIRNENXUOU-UHFFFAOYSA-N
MW594.67 g/mol
LogP9.32
Rot. Bonds5

About 1-[2-hydroxy-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-1-yl]-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-2-ol

1-[2-hydroxy-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-1-yl]-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-2-ol (PubChem CID 177474104) has the molecular formula C40H26N4O2 and a molecular weight of 594.67 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-1-yl]-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-[2-hydroxy-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-1-yl]-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-2-ol
PubChem CID177474104
Molecular FormulaC40H26N4O2
Molecular Weight594.67 g/mol
Exact Mass594.21
IUPAC Name1-[2-hydroxy-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-1-yl]-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-2-ol
SMILESOc1c(-c2cccc(-c3ccccn3)n2)cc2ccccc2c1-c1c(O)c(-c2cccc(-c3ccccn3)n2)cc2ccccc12
InChIInChI=1S/C40H26N4O2/c45-39-29(31-17-9-19-35(43-31)33-15-5-7-21-41-33)23-25-11-1-3-13-27(25)37(39)38-28-14-4-2-12-26(28)24-30(40(38)46)32-18-10-20-36(44-32)34-16-6-8-22-42-34/h1-24,45-46H
InChIKeyYGYADIRNENXUOU-UHFFFAOYSA-N
XLogP9.32
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.67
LogP ≤ 59.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-1-yl]-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-2-ol?
The IUPAC name of 1-[2-hydroxy-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-1-yl]-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-2-ol (CID 177474104) is 1-[2-hydroxy-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-1-yl]-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-2-ol.
What is the SMILES notation for 1-[2-hydroxy-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-1-yl]-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-2-ol?
The canonical SMILES for 1-[2-hydroxy-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-1-yl]-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-2-ol is Oc1c(-c2cccc(-c3ccccn3)n2)cc2ccccc2c1-c1c(O)c(-c2cccc(-c3ccccn3)n2)cc2ccccc12.
What is the InChIKey of 1-[2-hydroxy-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-1-yl]-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-2-ol?
The InChIKey is YGYADIRNENXUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4O2/c45-39-29(31-17-9-19-35(43-31)33-15-5-7-21-41-33)23-25-11-1-3-13-27(25)37(39)38-28-14-4-2-12-26(28)24-30(40(38)46)32-18-10-20-36(44-32)34-16-6-8-22-42-34/h1-24,45-46H.
What are the key properties of 1-[2-hydroxy-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-1-yl]-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-2-ol?
1-[2-hydroxy-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-1-yl]-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-2-ol has a molecular weight of 594.67 g/mol, XLogP of 9.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-1-yl]-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-2-ol is sourced from PubChem (CID 177474104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).