6-[6-[6-[6-hydroxy-5-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-2-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol

C50H32N2O4 — CID 136707670

IUPAC6-[6-[6-[6-hydroxy-5-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-2-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1c(O)ccc2cc(-c3cccc(-c4cccc(-c5ccc6c(-c7c(O)ccc8ccccc78)c(O)ccc6c5)n4)n3)ccc12
InChIInChI=1S/C50H32N2O4/c53-43-23-17-29-7-1-3-9-35(29)47(43)49-37-21-15-33(27-31(37)19-25-45(49)55)39-11-5-13-41(51-39)42-14-6-12-40(52-42)34-16-22-38-32(28-34)20-26-46(56)50(38)48-36-10-4-2-8-30(36)18-24-44(48)54/h1-28,53-56H
InChIKeyBYICULHMNJGFCA-UHFFFAOYSA-N
MW724.82 g/mol
LogP12.25
Rot. Bonds5

About 6-[6-[6-[6-hydroxy-5-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-2-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol

6-[6-[6-[6-hydroxy-5-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-2-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol (PubChem CID 136707670) has the molecular formula C50H32N2O4 and a molecular weight of 724.82 g/mol. Its IUPAC name is 6-[6-[6-[6-hydroxy-5-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-2-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol.

Molecular Properties

Compound Name6-[6-[6-[6-hydroxy-5-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-2-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
PubChem CID136707670
Molecular FormulaC50H32N2O4
Molecular Weight724.82 g/mol
Exact Mass724.24
IUPAC Name6-[6-[6-[6-hydroxy-5-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-2-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1c(O)ccc2cc(-c3cccc(-c4cccc(-c5ccc6c(-c7c(O)ccc8ccccc78)c(O)ccc6c5)n4)n3)ccc12
InChIInChI=1S/C50H32N2O4/c53-43-23-17-29-7-1-3-9-35(29)47(43)49-37-21-15-33(27-31(37)19-25-45(49)55)39-11-5-13-41(51-39)42-14-6-12-40(52-42)34-16-22-38-32(28-34)20-26-46(56)50(38)48-36-10-4-2-8-30(36)18-24-44(48)54/h1-28,53-56H
InChIKeyBYICULHMNJGFCA-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 6-[6-[6-[6-hydroxy-5-(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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Related Compounds

2-[6-(2-Hydroxyphenyl)-4-(3-hydroxyphenyl)-2-pyridinyl]phenol
CID 137100804
3-[6-(3-Hydroxyphenyl)-4-(4-hydroxyphenyl)-2-pyridinyl]phenol
CID 137100807
12-Phenylbenzo[b]acridin-9-ol;hydrochloride
CID 137641590
1-(Benzo[a]phenazin-5-yl)naphthalen-2-ol
CID 136007873
3-[(E)-N-hydroxy-C-[(E)-2-pyridin-2-ylethenyl]carbonimidoyl]naphthalen-2-ol
CID 136094875
3-[4-(4-Hydroxyphenyl)-6-phenyl-2-pyridinyl]phenol
CID 136126510
2-[4-(3-Hydroxyphenyl)-6-phenyl-2-pyridinyl]phenol
CID 136159617
2-[6-(3-Hydroxyphenyl)-4-(4-hydroxyphenyl)-2-pyridinyl]phenol
CID 137100812
2-[6-(2-Hydroxyphenyl)-4-(4-hydroxyphenyl)-2-pyridinyl]phenol
CID 137100805
4-(8-Hydroxy-1,3-dimethylisoquinolin-7-yl)-3-methylnaphthalene-1,8-diol
CID 135993332
2-[4-(4-Hydroxyphenyl)-6-phenyl-2-pyridinyl]phenol
CID 136159618
1-[(4-Hydroxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol
CID 162646914

Frequently Asked Questions

What is the IUPAC name of 6-[6-[6-[6-hydroxy-5-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-2-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The IUPAC name of 6-[6-[6-[6-hydroxy-5-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-2-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol (CID 136707670) is 6-[6-[6-[6-hydroxy-5-(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 6-[6-[6-[6-hydroxy-5-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-2-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The canonical SMILES for 6-[6-[6-[6-hydroxy-5-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-2-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol is Oc1ccc2ccccc2c1-c1c(O)ccc2cc(-c3cccc(-c4cccc(-c5ccc6c(-c7c(O)ccc8ccccc78)c(O)ccc6c5)n4)n3)ccc12.
What is the InChIKey of 6-[6-[6-[6-hydroxy-5-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-2-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The InChIKey is BYICULHMNJGFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O4/c53-43-23-17-29-7-1-3-9-35(29)47(43)49-37-21-15-33(27-31(37)19-25-45(49)55)39-11-5-13-41(51-39)42-14-6-12-40(52-42)34-16-22-38-32(28-34)20-26-46(56)50(38)48-36-10-4-2-8-30(36)18-24-44(48)54/h1-28,53-56H.
What are the key properties of 6-[6-[6-[6-hydroxy-5-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-2-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
6-[6-[6-[6-hydroxy-5-(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 6-[6-[6-[6-hydroxy-5-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-2-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol is sourced from PubChem (CID 136707670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).