carbanide;iridium;12H-tetrazolo[1,5-f]phenanthridin-12-ide;yttrium

C14H10IrN4Y-2 — CID 58162743

IUPACcarbanide;iridium;12H-tetrazolo[1,5-f]phenanthridin-12-ide;yttrium
SMILES[CH3-].[Ir].[Y].[c-]1cccc2c1c1nnnn1c1ccccc21
InChIInChI=1S/C13H7N4.CH3.Ir.Y/c1-2-7-11-9(5-1)10-6-3-4-8-12(10)17-13(11)14-15-16-17;;;/h1-6,8H;1H3;;/q2*-1;;
InChIKeyRHEMFNNSSAKKRF-UHFFFAOYSA-N
MW515.39 g/mol
LogP2.68
Rot. Bonds

About carbanide;iridium;12H-tetrazolo[1,5-f]phenanthridin-12-ide;yttrium

carbanide;iridium;12H-tetrazolo[1,5-f]phenanthridin-12-ide;yttrium (PubChem CID 58162743) has the molecular formula C14H10IrN4Y-2 and a molecular weight of 515.39 g/mol. Its IUPAC name is carbanide;iridium;12H-tetrazolo[1,5-f]phenanthridin-12-ide;yttrium.

Molecular Properties

Compound Namecarbanide;iridium;12H-tetrazolo[1,5-f]phenanthridin-12-ide;yttrium
PubChem CID58162743
Molecular FormulaC14H10IrN4Y-2
Molecular Weight515.39 g/mol
Exact Mass515.96
IUPAC Namecarbanide;iridium;12H-tetrazolo[1,5-f]phenanthridin-12-ide;yttrium
SMILES[CH3-].[Ir].[Y].[c-]1cccc2c1c1nnnn1c1ccccc21
InChIInChI=1S/C13H7N4.CH3.Ir.Y/c1-2-7-11-9(5-1)10-6-3-4-8-12(10)17-13(11)14-15-16-17;;;/h1-6,8H;1H3;;/q2*-1;;
InChIKeyRHEMFNNSSAKKRF-UHFFFAOYSA-N
XLogP2.68
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.39
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tetrazolo[1,5-a]quinoline-4,5-diamine
CID 22254489
carbanide;iridium;2-methoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium
CID 58162772
carbanide;2-methoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+);yttrium
CID 58162733
carbanide;3-(2-carbazol-9-ylpropan-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium
CID 58162789
4-benzyl-5-chlorotetrazolo[1,5-a]quinoline
CID 2785135
CID 58944095
CID 58944095
CID 58162501
CID 58162501
carbanide;N,N-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-6-amine;platinum(2+);yttrium
CID 58162663
6-fluoro-3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 59358238
N-phenyl-N-(9-pyridin-2-ylcarbazol-2-yl)tetrazolo[1,5-f]phenanthridin-11-amine
CID 153411467
10-methyl-2,3,4,5,8,9,11-heptazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene
CID 12933159
tetrazolo[5,1-c][1,4]benzoxazin-4-one
CID 11095347

Frequently Asked Questions

What is the IUPAC name of carbanide;iridium;12H-tetrazolo[1,5-f]phenanthridin-12-ide;yttrium?
The IUPAC name of carbanide;iridium;12H-tetrazolo[1,5-f]phenanthridin-12-ide;yttrium (CID 58162743) is carbanide;iridium;12H-tetrazolo[1,5-f]phenanthridin-12-ide;yttrium.
What is the SMILES notation for carbanide;iridium;12H-tetrazolo[1,5-f]phenanthridin-12-ide;yttrium?
The canonical SMILES for carbanide;iridium;12H-tetrazolo[1,5-f]phenanthridin-12-ide;yttrium is [CH3-].[Ir].[Y].[c-]1cccc2c1c1nnnn1c1ccccc21.
What is the InChIKey of carbanide;iridium;12H-tetrazolo[1,5-f]phenanthridin-12-ide;yttrium?
The InChIKey is RHEMFNNSSAKKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N4.CH3.Ir.Y/c1-2-7-11-9(5-1)10-6-3-4-8-12(10)17-13(11)14-15-16-17;;;/h1-6,8H;1H3;;/q2*-1;;.
What are the key properties of carbanide;iridium;12H-tetrazolo[1,5-f]phenanthridin-12-ide;yttrium?
carbanide;iridium;12H-tetrazolo[1,5-f]phenanthridin-12-ide;yttrium has a molecular weight of 515.39 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;iridium;12H-tetrazolo[1,5-f]phenanthridin-12-ide;yttrium is sourced from PubChem (CID 58162743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).