tris(5,7-dinaphthalen-1-ylquinolin-8-ol);dioxotungsten

C87H57N3O5W — CID 160626714

IUPACtris(5,7-dinaphthalen-1-ylquinolin-8-ol);dioxotungsten
SMILESO=[W]=O.Oc1c(-c2cccc3ccccc23)cc(-c2cccc3ccccc23)c2cccnc12.Oc1c(-c2cccc3ccccc23)cc(-c2cccc3ccccc23)c2cccnc12.Oc1c(-c2cccc3ccccc23)cc(-c2cccc3ccccc23)c2cccnc12
InChIInChI=1S/3C29H19NO.2O.W/c3*31-29-27(24-15-6-11-20-9-2-4-13-22(20)24)18-26(25-16-7-17-30-28(25)29)23-14-5-10-19-8-1-3-12-21(19)23;;;/h3*1-18,31H;;;
InChIKeyRFNMEKOEIXILGQ-UHFFFAOYSA-N
MW1408.27 g/mol
LogP22.50
Rot. Bonds6

About tris(5,7-dinaphthalen-1-ylquinolin-8-ol);dioxotungsten

tris(5,7-dinaphthalen-1-ylquinolin-8-ol);dioxotungsten (PubChem CID 160626714) has the molecular formula C87H57N3O5W and a molecular weight of 1408.27 g/mol. Its IUPAC name is tris(5,7-dinaphthalen-1-ylquinolin-8-ol);dioxotungsten.

Molecular Properties

Compound Nametris(5,7-dinaphthalen-1-ylquinolin-8-ol);dioxotungsten
PubChem CID160626714
Molecular FormulaC87H57N3O5W
Molecular Weight1408.27 g/mol
Exact Mass1407.38
IUPAC Nametris(5,7-dinaphthalen-1-ylquinolin-8-ol);dioxotungsten
SMILESO=[W]=O.Oc1c(-c2cccc3ccccc23)cc(-c2cccc3ccccc23)c2cccnc12.Oc1c(-c2cccc3ccccc23)cc(-c2cccc3ccccc23)c2cccnc12.Oc1c(-c2cccc3ccccc23)cc(-c2cccc3ccccc23)c2cccnc12
InChIInChI=1S/3C29H19NO.2O.W/c3*31-29-27(24-15-6-11-20-9-2-4-13-22(20)24)18-26(25-16-7-17-30-28(25)29)23-14-5-10-19-8-1-3-12-21(19)23;;;/h3*1-18,31H;;;
InChIKeyRFNMEKOEIXILGQ-UHFFFAOYSA-N
XLogP22.50
TPSA133.50 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001408.27
LogP ≤ 522.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-naphthalen-1-ylquinolin-8-ol;zinc
CID 20606771
2-(3,6,8-trinaphthalen-1-ylpyren-1-yl)pyridine
CID 89347361
10-phenyl-5-(10-phenylbenzo[h]quinolin-5-yl)benzo[h]quinoline
CID 20606784
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769
6,12-di(phenanthren-9-yl)quinolino[8,7-h]quinoline
CID 88544757
hexakis(anthracene-9-carboxylate);bis(erbium(3+));bis(1,10-phenanthroline)
CID 139060480
2-naphthalen-1-yl-9-quinolin-8-yl-1,10-phenanthroline
CID 134167279
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251

Frequently Asked Questions

What is the IUPAC name of tris(5,7-dinaphthalen-1-ylquinolin-8-ol);dioxotungsten?
The IUPAC name of tris(5,7-dinaphthalen-1-ylquinolin-8-ol);dioxotungsten (CID 160626714) is tris(5,7-dinaphthalen-1-ylquinolin-8-ol);dioxotungsten.
What is the SMILES notation for tris(5,7-dinaphthalen-1-ylquinolin-8-ol);dioxotungsten?
The canonical SMILES for tris(5,7-dinaphthalen-1-ylquinolin-8-ol);dioxotungsten is O=[W]=O.Oc1c(-c2cccc3ccccc23)cc(-c2cccc3ccccc23)c2cccnc12.Oc1c(-c2cccc3ccccc23)cc(-c2cccc3ccccc23)c2cccnc12.Oc1c(-c2cccc3ccccc23)cc(-c2cccc3ccccc23)c2cccnc12.
What is the InChIKey of tris(5,7-dinaphthalen-1-ylquinolin-8-ol);dioxotungsten?
The InChIKey is RFNMEKOEIXILGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C29H19NO.2O.W/c3*31-29-27(24-15-6-11-20-9-2-4-13-22(20)24)18-26(25-16-7-17-30-28(25)29)23-14-5-10-19-8-1-3-12-21(19)23;;;/h3*1-18,31H;;;.
What are the key properties of tris(5,7-dinaphthalen-1-ylquinolin-8-ol);dioxotungsten?
tris(5,7-dinaphthalen-1-ylquinolin-8-ol);dioxotungsten has a molecular weight of 1408.27 g/mol, XLogP of 22.50, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tris(5,7-dinaphthalen-1-ylquinolin-8-ol);dioxotungsten is sourced from PubChem (CID 160626714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).