10H-benzo[h]quinolin-10-ide;2-pyridin-2-ylphenol;quinolin-8-ol;rhenium

C33H24N3O2Re- — CID 135973441

IUPAC10H-benzo[h]quinolin-10-ide;2-pyridin-2-ylphenol;quinolin-8-ol;rhenium
SMILESOc1cccc2cccnc12.Oc1ccccc1-c1ccccn1.[Re].[c-]1cccc2ccc3cccnc3c12
InChIInChI=1S/C13H8N.C11H9NO.C9H7NO.Re/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-5,7-9H;1-8,13H;1-6,11H;/q-1;;;
InChIKeyRJPATNHQNGFZBY-UHFFFAOYSA-N
MW680.78 g/mol
LogP7.58
Rot. Bonds1

About 10H-benzo[h]quinolin-10-ide;2-pyridin-2-ylphenol;quinolin-8-ol;rhenium

10H-benzo[h]quinolin-10-ide;2-pyridin-2-ylphenol;quinolin-8-ol;rhenium (PubChem CID 135973441) has the molecular formula C33H24N3O2Re- and a molecular weight of 680.78 g/mol. Its IUPAC name is 10H-benzo[h]quinolin-10-ide;2-pyridin-2-ylphenol;quinolin-8-ol;rhenium.

Molecular Properties

Compound Name10H-benzo[h]quinolin-10-ide;2-pyridin-2-ylphenol;quinolin-8-ol;rhenium
PubChem CID135973441
Molecular FormulaC33H24N3O2Re-
Molecular Weight680.78 g/mol
Exact Mass681.14
IUPAC Name10H-benzo[h]quinolin-10-ide;2-pyridin-2-ylphenol;quinolin-8-ol;rhenium
SMILESOc1cccc2cccnc12.Oc1ccccc1-c1ccccn1.[Re].[c-]1cccc2ccc3cccnc3c12
InChIInChI=1S/C13H8N.C11H9NO.C9H7NO.Re/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-5,7-9H;1-8,13H;1-6,11H;/q-1;;;
InChIKeyRJPATNHQNGFZBY-UHFFFAOYSA-N
XLogP7.58
TPSA79.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.78
LogP ≤ 57.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10H-benzo[h]quinolin-10-ide;2-pyridin-2-ylphenol;quinolin-8-ol;rhenium with MolForge

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Launch Full Analysis

Related Compounds

beryllium bis(10H-benzo[h]quinolin-10-ide)
CID 156697230
2-pyridin-2-ylpyridine;quinolin-8-ol
CID 67892593
bis(10H-benzo[h]quinolin-10-ide);difluoropalladium;difluoroxenon;bis(methyl-(2-pyridin-2-ylphenyl)azanide);palladium(2+)
CID 158352452
8-pyridin-2-ylquinoline
CID 10982041
bis(10H-benzo[h]quinolin-10-ide);iridium;10-methylbenzo[h]quinoline
CID 59480620
bis(10H-benzo[h]quinolin-10-ide);iridium(3+);10-methanidylbenzo[h]quinoline
CID 58084663
2-pyridin-2-ylphenol;hydrate
CID 175244966
methanol;quinolin-8-ol
CID 161490698
quinolin-8-ol;yttrium
CID 174635627
CID 54604144
CID 54604144
bis(10H-benzo[h]quinolin-10-ide);tetrakis(iridium(3+));bis(2-(4-methylbenzene-6-id-1-yl)pyridine);octakis(2-phenylpyridine)
CID 157371936
10H-benzo[h]quinolin-10-ide;ethane;tris(iridium);2-phenylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine
CID 158596255

Frequently Asked Questions

What is the IUPAC name of 10H-benzo[h]quinolin-10-ide;2-pyridin-2-ylphenol;quinolin-8-ol;rhenium?
The IUPAC name of 10H-benzo[h]quinolin-10-ide;2-pyridin-2-ylphenol;quinolin-8-ol;rhenium (CID 135973441) is 10H-benzo[h]quinolin-10-ide;2-pyridin-2-ylphenol;quinolin-8-ol;rhenium.
What is the SMILES notation for 10H-benzo[h]quinolin-10-ide;2-pyridin-2-ylphenol;quinolin-8-ol;rhenium?
The canonical SMILES for 10H-benzo[h]quinolin-10-ide;2-pyridin-2-ylphenol;quinolin-8-ol;rhenium is Oc1cccc2cccnc12.Oc1ccccc1-c1ccccn1.[Re].[c-]1cccc2ccc3cccnc3c12.
What is the InChIKey of 10H-benzo[h]quinolin-10-ide;2-pyridin-2-ylphenol;quinolin-8-ol;rhenium?
The InChIKey is RJPATNHQNGFZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N.C11H9NO.C9H7NO.Re/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-5,7-9H;1-8,13H;1-6,11H;/q-1;;;.
What are the key properties of 10H-benzo[h]quinolin-10-ide;2-pyridin-2-ylphenol;quinolin-8-ol;rhenium?
10H-benzo[h]quinolin-10-ide;2-pyridin-2-ylphenol;quinolin-8-ol;rhenium has a molecular weight of 680.78 g/mol, XLogP of 7.58, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-benzo[h]quinolin-10-ide;2-pyridin-2-ylphenol;quinolin-8-ol;rhenium is sourced from PubChem (CID 135973441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).