iridium(3+);2-methanidyloxypropane;3-phenylisoquinoline

C19H18IrNO — CID 155610283

IUPACiridium(3+);2-methanidyloxypropane;3-phenylisoquinoline
SMILES[CH2-]OC([CH2-])C.[Ir+3].[c-]1ccccc1-c1cc2ccccc2cn1
InChIInChI=1S/C15H10N.C4H8O.Ir/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15;1-4(2)5-3;/h1-6,8-11H;4H,1,3H2,2H3;/q-1;-2;+3
InChIKeyWDOCHMJDPYKDMJ-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.72
Rot. Bonds2

About iridium(3+);2-methanidyloxypropane;3-phenylisoquinoline

iridium(3+);2-methanidyloxypropane;3-phenylisoquinoline (PubChem CID 155610283) has the molecular formula C19H18IrNO and a molecular weight of 468.58 g/mol. Its IUPAC name is iridium(3+);2-methanidyloxypropane;3-phenylisoquinoline.

Molecular Properties

Compound Nameiridium(3+);2-methanidyloxypropane;3-phenylisoquinoline
PubChem CID155610283
Molecular FormulaC19H18IrNO
Molecular Weight468.58 g/mol
Exact Mass469.10
IUPAC Nameiridium(3+);2-methanidyloxypropane;3-phenylisoquinoline
SMILES[CH2-]OC([CH2-])C.[Ir+3].[c-]1ccccc1-c1cc2ccccc2cn1
InChIInChI=1S/C15H10N.C4H8O.Ir/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15;1-4(2)5-3;/h1-6,8-11H;4H,1,3H2,2H3;/q-1;-2;+3
InChIKeyWDOCHMJDPYKDMJ-UHFFFAOYSA-N
XLogP4.72
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

iridium;3-(3-methylbenzene-6-id-1-yl)isoquinoline;2-phenylpyridine
CID 155620539
(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;3-phenylisoquinoline
CID 58239785
iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane
CID 166499170
(2R,6S)-6-ethyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-1,7-diol;iridium;3-phenylisoquinoline
CID 170528316
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine;iridium(3+)
CID 140838450
iridium;bis(iridium(3+));bis(3-phenylisoquinoline);2-phenylpyridine;tris(tetrabutylazanium);tetraisothiocyanate;dihydrate
CID 160602835
3-[3-(4,6-difluoro-1,3,5-triazin-2-yl)benzene-6-id-1-yl]isoquinoline;iridium
CID 140786199
3-[3-(4,6-ditert-butylpyrimidin-2-yl)benzene-6-id-1-yl]isoquinoline;iridium
CID 140786479
iridium;3-(3-pyridin-3-ylbenzene-6-id-1-yl)isoquinoline
CID 140786386
iridium;trimethyl-(2-phenyl-4-pyridinyl)phosphanium
CID 59782046
1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol;iridium;3-phenyl-6-propan-2-ylisoquinoline
CID 170528002
iridium;3-(6-phenyl-3H-dibenzothiophen-3-id-4-yl)isoquinoline;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 166577465

Frequently Asked Questions

What is the IUPAC name of iridium(3+);2-methanidyloxypropane;3-phenylisoquinoline?
The IUPAC name of iridium(3+);2-methanidyloxypropane;3-phenylisoquinoline (CID 155610283) is iridium(3+);2-methanidyloxypropane;3-phenylisoquinoline.
What is the SMILES notation for iridium(3+);2-methanidyloxypropane;3-phenylisoquinoline?
The canonical SMILES for iridium(3+);2-methanidyloxypropane;3-phenylisoquinoline is [CH2-]OC([CH2-])C.[Ir+3].[c-]1ccccc1-c1cc2ccccc2cn1.
What is the InChIKey of iridium(3+);2-methanidyloxypropane;3-phenylisoquinoline?
The InChIKey is WDOCHMJDPYKDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N.C4H8O.Ir/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15;1-4(2)5-3;/h1-6,8-11H;4H,1,3H2,2H3;/q-1;-2;+3.
What are the key properties of iridium(3+);2-methanidyloxypropane;3-phenylisoquinoline?
iridium(3+);2-methanidyloxypropane;3-phenylisoquinoline has a molecular weight of 468.58 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium(3+);2-methanidyloxypropane;3-phenylisoquinoline is sourced from PubChem (CID 155610283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).