1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(4-pyridin-4-ylpyridine)

C40H30N4O2 — CID 71401574

IUPAC1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(4-pyridin-4-ylpyridine)
SMILESOc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C20H14O2.2C10H8N2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;2*1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-12,21-22H;2*1-8H
InChIKeyWCGCECJAFQRKPU-UHFFFAOYSA-N
MW598.71 g/mol
LogP9.36
Rot. Bonds3

About 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(4-pyridin-4-ylpyridine)

1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(4-pyridin-4-ylpyridine) (PubChem CID 71401574) has the molecular formula C40H30N4O2 and a molecular weight of 598.71 g/mol. Its IUPAC name is 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(4-pyridin-4-ylpyridine).

Molecular Properties

Compound Name1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(4-pyridin-4-ylpyridine)
PubChem CID71401574
Molecular FormulaC40H30N4O2
Molecular Weight598.71 g/mol
Exact Mass598.24
IUPAC Name1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(4-pyridin-4-ylpyridine)
SMILESOc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C20H14O2.2C10H8N2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;2*1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-12,21-22H;2*1-8H
InChIKeyWCGCECJAFQRKPU-UHFFFAOYSA-N
XLogP9.36
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.71
LogP ≤ 59.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(4-pyridin-4-ylpyridine)?
The IUPAC name of 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(4-pyridin-4-ylpyridine) (CID 71401574) is 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(4-pyridin-4-ylpyridine).
What is the SMILES notation for 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(4-pyridin-4-ylpyridine)?
The canonical SMILES for 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(4-pyridin-4-ylpyridine) is Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.
What is the InChIKey of 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(4-pyridin-4-ylpyridine)?
The InChIKey is WCGCECJAFQRKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2.2C10H8N2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;2*1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-12,21-22H;2*1-8H.
What are the key properties of 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(4-pyridin-4-ylpyridine)?
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(4-pyridin-4-ylpyridine) has a molecular weight of 598.71 g/mol, XLogP of 9.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(4-pyridin-4-ylpyridine) is sourced from PubChem (CID 71401574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).