iridium;2-phenylpyridine;3-quinolin-2-yl-4H-chromen-4-id-2-one

C29H18IrN2O2-2 — CID 59302083

IUPACiridium;2-phenylpyridine;3-quinolin-2-yl-4H-chromen-4-id-2-one
SMILESO=c1oc2ccccc2[c-]c1-c1ccc2ccccc2n1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C18H10NO2.C11H8N.Ir/c20-18-14(11-13-6-2-4-8-17(13)21-18)16-10-9-12-5-1-3-7-15(12)19-16;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-10H;1-6,8-9H;/q2*-1;
InChIKeyVXWBRHRFSKRJKS-UHFFFAOYSA-N
MW618.69 g/mol
LogP6.35
Rot. Bonds2

About iridium;2-phenylpyridine;3-quinolin-2-yl-4H-chromen-4-id-2-one

iridium;2-phenylpyridine;3-quinolin-2-yl-4H-chromen-4-id-2-one (PubChem CID 59302083) has the molecular formula C29H18IrN2O2-2 and a molecular weight of 618.69 g/mol. Its IUPAC name is iridium;2-phenylpyridine;3-quinolin-2-yl-4H-chromen-4-id-2-one.

Molecular Properties

Compound Nameiridium;2-phenylpyridine;3-quinolin-2-yl-4H-chromen-4-id-2-one
PubChem CID59302083
Molecular FormulaC29H18IrN2O2-2
Molecular Weight618.69 g/mol
Exact Mass619.10
IUPAC Nameiridium;2-phenylpyridine;3-quinolin-2-yl-4H-chromen-4-id-2-one
SMILESO=c1oc2ccccc2[c-]c1-c1ccc2ccccc2n1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C18H10NO2.C11H8N.Ir/c20-18-14(11-13-6-2-4-8-17(13)21-18)16-10-9-12-5-1-3-7-15(12)19-16;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-10H;1-6,8-9H;/q2*-1;
InChIKeyVXWBRHRFSKRJKS-UHFFFAOYSA-N
XLogP6.35
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.69
LogP ≤ 56.35
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'}

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Related Compounds

1-Pentyl-1H-indole-3-carboxylic acid 8-quinolinyl ester
CID 71604304
NM-2201
CID 91864534
1-(cyclohexylmethyl)-1H-indole-3-carboxylic acid 8-quinolinyl ester
CID 71711120
5-fluoro-PB-22
CID 72710774
1-Naphthalenyl 1-((4-fluorophenyl)methyl)-1H-indole-3-carboxylate
CID 119025888
2-(2-(4-(1-(2-(pyridin-2-yl)ethyl)-1H-indol-3-yl)piperidin-1-yl)ethoxy)benzoic acid
CID 10298838
5,5-dimethyl-4-(pyridin-4-yl)-3-(4-(quinolin-2-ylmethoxy)phenyl)furan-2(5H)-one
CID 44539913
1,3-Diphenylchromeno[4,3-b]pyrrol-4-one
CID 14788079
1-(3-Methylphenyl)-3-phenylchromeno[4,3-b]pyrrol-4-one
CID 14788080
1-(4-Methylphenyl)-3-phenylchromeno[4,3-b]pyrrol-4-one
CID 14788081
Sodium 6-fluoro-2-[7-(2-methoxyphenyl)-1-methylindol-3-yl]-3-methylquinoline-4-carboxylate
CID 44294426
6-[3-[1-[(2-Methoxyphenyl)methyl]piperidin-4-yl]propanoyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-11-one
CID 53323551

Frequently Asked Questions

What is the IUPAC name of iridium;2-phenylpyridine;3-quinolin-2-yl-4H-chromen-4-id-2-one?
The IUPAC name of iridium;2-phenylpyridine;3-quinolin-2-yl-4H-chromen-4-id-2-one (CID 59302083) is iridium;2-phenylpyridine;3-quinolin-2-yl-4H-chromen-4-id-2-one.
What is the SMILES notation for iridium;2-phenylpyridine;3-quinolin-2-yl-4H-chromen-4-id-2-one?
The canonical SMILES for iridium;2-phenylpyridine;3-quinolin-2-yl-4H-chromen-4-id-2-one is O=c1oc2ccccc2[c-]c1-c1ccc2ccccc2n1.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium;2-phenylpyridine;3-quinolin-2-yl-4H-chromen-4-id-2-one?
The InChIKey is VXWBRHRFSKRJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10NO2.C11H8N.Ir/c20-18-14(11-13-6-2-4-8-17(13)21-18)16-10-9-12-5-1-3-7-15(12)19-16;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-10H;1-6,8-9H;/q2*-1;.
What are the key properties of iridium;2-phenylpyridine;3-quinolin-2-yl-4H-chromen-4-id-2-one?
iridium;2-phenylpyridine;3-quinolin-2-yl-4H-chromen-4-id-2-one has a molecular weight of 618.69 g/mol, XLogP of 6.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-phenylpyridine;3-quinolin-2-yl-4H-chromen-4-id-2-one is sourced from PubChem (CID 59302083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).