3-[6-[6-[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-2-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol

C50H32N2O4 — CID 135524809

IUPAC3-[6-[6-[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-2-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1c(O)c(-c2cccc(-c3cccc(-c4cc5ccccc5c(-c5c(O)ccc6ccccc56)c4O)n3)n2)cc2ccccc12
InChIInChI=1S/C50H32N2O4/c53-43-25-23-29-11-1-5-15-33(29)45(43)47-35-17-7-3-13-31(35)27-37(49(47)55)39-19-9-21-41(51-39)42-22-10-20-40(52-42)38-28-32-14-4-8-18-36(32)48(50(38)56)46-34-16-6-2-12-30(34)24-26-44(46)54/h1-28,53-56H
InChIKeyPSIJOQZVYTUAIO-UHFFFAOYSA-N
MW724.82 g/mol
LogP12.25
Rot. Bonds5

About 3-[6-[6-[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-2-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol

3-[6-[6-[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-2-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol (PubChem CID 135524809) has the molecular formula C50H32N2O4 and a molecular weight of 724.82 g/mol. Its IUPAC name is 3-[6-[6-[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-2-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol.

Molecular Properties

Compound Name3-[6-[6-[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-2-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
PubChem CID135524809
Molecular FormulaC50H32N2O4
Molecular Weight724.82 g/mol
Exact Mass724.24
IUPAC Name3-[6-[6-[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-2-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1c(O)c(-c2cccc(-c3cccc(-c4cc5ccccc5c(-c5c(O)ccc6ccccc56)c4O)n3)n2)cc2ccccc12
InChIInChI=1S/C50H32N2O4/c53-43-25-23-29-11-1-5-15-33(29)45(43)47-35-17-7-3-13-31(35)27-37(49(47)55)39-19-9-21-41(51-39)42-22-10-20-40(52-42)38-28-32-14-4-8-18-36(32)48(50(38)56)46-34-16-6-2-12-30(34)24-26-44(46)54/h1-28,53-56H
InChIKeyPSIJOQZVYTUAIO-UHFFFAOYSA-N
XLogP12.25
TPSA106.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.82
LogP ≤ 512.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-[6-[6-[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-2-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[6-[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-2-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The IUPAC name of 3-[6-[6-[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-2-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol (CID 135524809) is 3-[6-[6-[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-2-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol.
What is the SMILES notation for 3-[6-[6-[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-2-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The canonical SMILES for 3-[6-[6-[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-2-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol is Oc1ccc2ccccc2c1-c1c(O)c(-c2cccc(-c3cccc(-c4cc5ccccc5c(-c5c(O)ccc6ccccc56)c4O)n3)n2)cc2ccccc12.
What is the InChIKey of 3-[6-[6-[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-2-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The InChIKey is PSIJOQZVYTUAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O4/c53-43-25-23-29-11-1-5-15-33(29)45(43)47-35-17-7-3-13-31(35)27-37(49(47)55)39-19-9-21-41(51-39)42-22-10-20-40(52-42)38-28-32-14-4-8-18-36(32)48(50(38)56)46-34-16-6-2-12-30(34)24-26-44(46)54/h1-28,53-56H.
What are the key properties of 3-[6-[6-[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-2-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
3-[6-[6-[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-2-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol has a molecular weight of 724.82 g/mol, XLogP of 12.25, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[6-[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-2-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol is sourced from PubChem (CID 135524809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).