tetrakis(iridium);N-(1-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide

C18H18Ir4N2O3 — CID 71570241

IUPACtetrakis(iridium);N-(1-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide
SMILESCOc1cc(NC(=O)C2CCCN2)cc2oc3ccccc3c12.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C18H18N2O3.4Ir/c1-22-15-9-11(20-18(21)13-6-4-8-19-13)10-16-17(15)12-5-2-3-7-14(12)23-16;;;;/h2-3,5,7,9-10,13,19H,4,6,8H2,1H3,(H,20,21);;;;
InChIKeyKGKXFZSDFDRVHB-UHFFFAOYSA-N
MW1079.22 g/mol
LogP3.28
Rot. Bonds3

About tetrakis(iridium);N-(1-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide

tetrakis(iridium);N-(1-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide (PubChem CID 71570241) has the molecular formula C18H18Ir4N2O3 and a molecular weight of 1079.22 g/mol. Its IUPAC name is tetrakis(iridium);N-(1-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Nametetrakis(iridium);N-(1-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide
PubChem CID71570241
Molecular FormulaC18H18Ir4N2O3
Molecular Weight1079.22 g/mol
Exact Mass1081.98
IUPAC Nametetrakis(iridium);N-(1-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide
SMILESCOc1cc(NC(=O)C2CCCN2)cc2oc3ccccc3c12.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C18H18N2O3.4Ir/c1-22-15-9-11(20-18(21)13-6-4-8-19-13)10-16-17(15)12-5-2-3-7-14(12)23-16;;;;/h2-3,5,7,9-10,13,19H,4,6,8H2,1H3,(H,20,21);;;;
InChIKeyKGKXFZSDFDRVHB-UHFFFAOYSA-N
XLogP3.28
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001079.22
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide
CID 25166096
N-(2-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide
CID 68603513
(2S)-N-(3,4,5-trimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119671461
N-(3,4-dimethoxyphenyl)azepane-2-carboxamide
CID 64562794
(2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119673647
(2R)-N-(3-methoxy-4-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 51493155
(2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 103795109
N-(3,5-dichloro-4-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119312729
(2S)-N-(4-acetamido-3-methoxyphenyl)piperidine-2-carboxamide
CID 103808843
(2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide
CID 103794468
N-(4-chloro-3-methoxyphenyl)azepane-2-carboxamide
CID 107621689
N-(2-chloro-4,5-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 43233979

Frequently Asked Questions

What is the IUPAC name of tetrakis(iridium);N-(1-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of tetrakis(iridium);N-(1-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide (CID 71570241) is tetrakis(iridium);N-(1-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for tetrakis(iridium);N-(1-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for tetrakis(iridium);N-(1-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide is COc1cc(NC(=O)C2CCCN2)cc2oc3ccccc3c12.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of tetrakis(iridium);N-(1-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is KGKXFZSDFDRVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3.4Ir/c1-22-15-9-11(20-18(21)13-6-4-8-19-13)10-16-17(15)12-5-2-3-7-14(12)23-16;;;;/h2-3,5,7,9-10,13,19H,4,6,8H2,1H3,(H,20,21);;;;.
What are the key properties of tetrakis(iridium);N-(1-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide?
tetrakis(iridium);N-(1-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 1079.22 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(iridium);N-(1-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 71570241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).