5-(2-pyrimidin-5-ylanthracen-9-yl)quinolin-8-ol

C27H17N3O — CID 89211629

IUPAC5-(2-pyrimidin-5-ylanthracen-9-yl)quinolin-8-ol
SMILESOc1ccc(-c2c3ccccc3cc3ccc(-c4cncnc4)cc23)c2cccnc12
InChIInChI=1S/C27H17N3O/c31-25-10-9-22(23-6-3-11-30-27(23)25)26-21-5-2-1-4-18(21)12-19-8-7-17(13-24(19)26)20-14-28-16-29-15-20/h1-16,31H
InChIKeyNJVRYUSXSUVYAS-UHFFFAOYSA-N
MW399.45 g/mol
LogP6.37
Rot. Bonds2

About 5-(2-pyrimidin-5-ylanthracen-9-yl)quinolin-8-ol

5-(2-pyrimidin-5-ylanthracen-9-yl)quinolin-8-ol (PubChem CID 89211629) has the molecular formula C27H17N3O and a molecular weight of 399.45 g/mol. Its IUPAC name is 5-(2-pyrimidin-5-ylanthracen-9-yl)quinolin-8-ol.

Molecular Properties

Compound Name5-(2-pyrimidin-5-ylanthracen-9-yl)quinolin-8-ol
PubChem CID89211629
Molecular FormulaC27H17N3O
Molecular Weight399.45 g/mol
Exact Mass399.14
IUPAC Name5-(2-pyrimidin-5-ylanthracen-9-yl)quinolin-8-ol
SMILESOc1ccc(-c2c3ccccc3cc3ccc(-c4cncnc4)cc23)c2cccnc12
InChIInChI=1S/C27H17N3O/c31-25-10-9-22(23-6-3-11-30-27(23)25)26-21-5-2-1-4-18(21)12-19-8-7-17(13-24(19)26)20-14-28-16-29-15-20/h1-16,31H
InChIKeyNJVRYUSXSUVYAS-UHFFFAOYSA-N
XLogP6.37
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-8-ol
CID 89211667
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-ol
CID 89211593
3-(4-anthracen-9-ylnaphthalen-1-yl)-1,10-phenanthroline
CID 145221321
5-naphthalen-1-ylquinolin-8-ol;zinc
CID 20606771
bis(5-phenylquinolin-8-ol);zinc
CID 59818569
3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]pyridine
CID 88551707
1-[2-(4-methylphenyl)naphthalen-1-yl]-3-(1,10-phenanthrolin-2-yl)naphthalen-2-ol
CID 139185543
5-[4-(9,10-dinaphthalen-2-yl-7-phenylanthracen-2-yl)phenyl]benzo[h]quinoline
CID 58323929
4-(4-anthracen-9-ylnaphthalen-1-yl)pyridine
CID 141277666
2-[4-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 145221304
2-(5-triphenylen-2-ylpyrimidin-2-yl)-1,10-phenanthroline
CID 129172574
3-(1,10-phenanthrolin-2-yl)-1-[2-(4-phenylphenyl)naphthalen-1-yl]naphthalen-2-ol
CID 137158075

Frequently Asked Questions

What is the IUPAC name of 5-(2-pyrimidin-5-ylanthracen-9-yl)quinolin-8-ol?
The IUPAC name of 5-(2-pyrimidin-5-ylanthracen-9-yl)quinolin-8-ol (CID 89211629) is 5-(2-pyrimidin-5-ylanthracen-9-yl)quinolin-8-ol.
What is the SMILES notation for 5-(2-pyrimidin-5-ylanthracen-9-yl)quinolin-8-ol?
The canonical SMILES for 5-(2-pyrimidin-5-ylanthracen-9-yl)quinolin-8-ol is Oc1ccc(-c2c3ccccc3cc3ccc(-c4cncnc4)cc23)c2cccnc12.
What is the InChIKey of 5-(2-pyrimidin-5-ylanthracen-9-yl)quinolin-8-ol?
The InChIKey is NJVRYUSXSUVYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N3O/c31-25-10-9-22(23-6-3-11-30-27(23)25)26-21-5-2-1-4-18(21)12-19-8-7-17(13-24(19)26)20-14-28-16-29-15-20/h1-16,31H.
What are the key properties of 5-(2-pyrimidin-5-ylanthracen-9-yl)quinolin-8-ol?
5-(2-pyrimidin-5-ylanthracen-9-yl)quinolin-8-ol has a molecular weight of 399.45 g/mol, XLogP of 6.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyrimidin-5-ylanthracen-9-yl)quinolin-8-ol is sourced from PubChem (CID 89211629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).