10H-benzo[h]quinolin-10-ide;iridium;3-pyridin-2-yl-4H-chromen-4-id-2-one

C27H16IrN2O2-2 — CID 59302091

IUPAC10H-benzo[h]quinolin-10-ide;iridium;3-pyridin-2-yl-4H-chromen-4-id-2-one
SMILESO=c1oc2ccccc2[c-]c1-c1ccccn1.[Ir].[c-]1cccc2ccc3cccnc3c12
InChIInChI=1S/C14H8NO2.C13H8N.Ir/c16-14-11(12-6-3-4-8-15-12)9-10-5-1-2-7-13(10)17-14;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;/h1-8H;1-5,7-9H;/q2*-1;
InChIKeyNKKYRTHBCIXWNW-UHFFFAOYSA-N
MW592.65 g/mol
LogP5.84
Rot. Bonds1

About 10H-benzo[h]quinolin-10-ide;iridium;3-pyridin-2-yl-4H-chromen-4-id-2-one

10H-benzo[h]quinolin-10-ide;iridium;3-pyridin-2-yl-4H-chromen-4-id-2-one (PubChem CID 59302091) has the molecular formula C27H16IrN2O2-2 and a molecular weight of 592.65 g/mol. Its IUPAC name is 10H-benzo[h]quinolin-10-ide;iridium;3-pyridin-2-yl-4H-chromen-4-id-2-one.

Molecular Properties

Compound Name10H-benzo[h]quinolin-10-ide;iridium;3-pyridin-2-yl-4H-chromen-4-id-2-one
PubChem CID59302091
Molecular FormulaC27H16IrN2O2-2
Molecular Weight592.65 g/mol
Exact Mass593.09
IUPAC Name10H-benzo[h]quinolin-10-ide;iridium;3-pyridin-2-yl-4H-chromen-4-id-2-one
SMILESO=c1oc2ccccc2[c-]c1-c1ccccn1.[Ir].[c-]1cccc2ccc3cccnc3c12
InChIInChI=1S/C14H8NO2.C13H8N.Ir/c16-14-11(12-6-3-4-8-15-12)9-10-5-1-2-7-13(10)17-14;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;/h1-8H;1-5,7-9H;/q2*-1;
InChIKeyNKKYRTHBCIXWNW-UHFFFAOYSA-N
XLogP5.84
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.65
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10H-benzo[h]quinolin-10-ide;iridium;3-pyridin-2-yl-4H-chromen-4-id-2-one with MolForge

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Launch Full Analysis

Related Compounds

1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 10314056
3-(Benzofuran-2-ylmethylene)anabaseine
CID 10338609
5H-(1)Benzopyrano(4,3-b)pyridin-5-one
CID 3069788
7-Propoxy-3-pyridin-2-ylchromen-2-one
CID 2351184
1,3-Diphenylchromeno[4,3-b]pyrrol-4-one
CID 14788079
3-(2-Acetoxylbenzylidine)anabasaine
CID 46702869
3-(2-Pivaloyloxybenzylidene)anabaseine
CID 46702874
3-(3-Pyridinyl)-2H-1-benzopyran-2-one
CID 13278
Piperidin-1-yl-[4-[(2-pyridin-2-ylphenoxy)methyl]phenyl]methanone
CID 156811035
4-[4-[(1E,4E)-3-oxo-5-pyridin-2-ylpenta-1,4-dienyl]phenoxy]chromen-2-one
CID 145992912
12-Pyridin-2-yl-15-oxa-2,5-diazapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-1(13),3,5,7,9,11,16,18,20-nonaen-14-one
CID 156016733
12-(2-Chloro-3-pyridinyl)-15-oxa-2,5-diazapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-1(13),3,5,7,9,11,16,18,20-nonaen-14-one
CID 156020989

Frequently Asked Questions

What is the IUPAC name of 10H-benzo[h]quinolin-10-ide;iridium;3-pyridin-2-yl-4H-chromen-4-id-2-one?
The IUPAC name of 10H-benzo[h]quinolin-10-ide;iridium;3-pyridin-2-yl-4H-chromen-4-id-2-one (CID 59302091) is 10H-benzo[h]quinolin-10-ide;iridium;3-pyridin-2-yl-4H-chromen-4-id-2-one.
What is the SMILES notation for 10H-benzo[h]quinolin-10-ide;iridium;3-pyridin-2-yl-4H-chromen-4-id-2-one?
The canonical SMILES for 10H-benzo[h]quinolin-10-ide;iridium;3-pyridin-2-yl-4H-chromen-4-id-2-one is O=c1oc2ccccc2[c-]c1-c1ccccn1.[Ir].[c-]1cccc2ccc3cccnc3c12.
What is the InChIKey of 10H-benzo[h]quinolin-10-ide;iridium;3-pyridin-2-yl-4H-chromen-4-id-2-one?
The InChIKey is NKKYRTHBCIXWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8NO2.C13H8N.Ir/c16-14-11(12-6-3-4-8-15-12)9-10-5-1-2-7-13(10)17-14;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;/h1-8H;1-5,7-9H;/q2*-1;.
What are the key properties of 10H-benzo[h]quinolin-10-ide;iridium;3-pyridin-2-yl-4H-chromen-4-id-2-one?
10H-benzo[h]quinolin-10-ide;iridium;3-pyridin-2-yl-4H-chromen-4-id-2-one has a molecular weight of 592.65 g/mol, XLogP of 5.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-benzo[h]quinolin-10-ide;iridium;3-pyridin-2-yl-4H-chromen-4-id-2-one is sourced from PubChem (CID 59302091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).