carbanide;iridium;1-phenylisoquinoline

C16H14IrN- — CID 166502152

IUPACcarbanide;iridium;1-phenylisoquinoline
SMILES[CH3-].[Ir].c1ccc(-c2nccc3ccccc23)cc1
InChIInChI=1S/C15H11N.CH3.Ir/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;;/h1-11H;1H3;/q;-1;
InChIKeyMIOWRKDHJSFGFB-UHFFFAOYSA-N
MW412.51 g/mol
LogP4.35
Rot. Bonds1

About carbanide;iridium;1-phenylisoquinoline

carbanide;iridium;1-phenylisoquinoline (PubChem CID 166502152) has the molecular formula C16H14IrN- and a molecular weight of 412.51 g/mol. Its IUPAC name is carbanide;iridium;1-phenylisoquinoline.

Molecular Properties

Compound Namecarbanide;iridium;1-phenylisoquinoline
PubChem CID166502152
Molecular FormulaC16H14IrN-
Molecular Weight412.51 g/mol
Exact Mass413.08
IUPAC Namecarbanide;iridium;1-phenylisoquinoline
SMILES[CH3-].[Ir].c1ccc(-c2nccc3ccccc23)cc1
InChIInChI=1S/C15H11N.CH3.Ir/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;;/h1-11H;1H3;/q;-1;
InChIKeyMIOWRKDHJSFGFB-UHFFFAOYSA-N
XLogP4.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(iridium);tris(1-phenylisoquinoline);tris(2-phenylpyridine)
CID 159285657
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline
CID 118582323
1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]isoquinoline
CID 90401606
1-[4-[3-(4-isoquinolin-1-ylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]isoquinoline
CID 163990353
1-(4-pyridin-2-ylphenyl)isoquinoline
CID 58947156
1-(4-ethylphenyl)isoquinoline
CID 58184660
1-[3-(4,6-diphenylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline
CID 118582444
1-[3-(4-tert-butylphenyl)phenyl]isoquinoline;carbanide;iridium
CID 166502136
1-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline
CID 58462262
1-[3-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline
CID 140786417
(4-isoquinolin-1-ylphenyl)-phenoxy-phenylphosphane
CID 140617547
1-phenylisoquinolin-6-ol
CID 136504115

Frequently Asked Questions

What is the IUPAC name of carbanide;iridium;1-phenylisoquinoline?
The IUPAC name of carbanide;iridium;1-phenylisoquinoline (CID 166502152) is carbanide;iridium;1-phenylisoquinoline.
What is the SMILES notation for carbanide;iridium;1-phenylisoquinoline?
The canonical SMILES for carbanide;iridium;1-phenylisoquinoline is [CH3-].[Ir].c1ccc(-c2nccc3ccccc23)cc1.
What is the InChIKey of carbanide;iridium;1-phenylisoquinoline?
The InChIKey is MIOWRKDHJSFGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N.CH3.Ir/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;;/h1-11H;1H3;/q;-1;.
What are the key properties of carbanide;iridium;1-phenylisoquinoline?
carbanide;iridium;1-phenylisoquinoline has a molecular weight of 412.51 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;iridium;1-phenylisoquinoline is sourced from PubChem (CID 166502152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).