12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;2-pyridin-2-yl-1-azanida-2-boracyclohexa-3,5-diene

C24H17BIrN4-2 — CID 59583141

IUPAC12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;2-pyridin-2-yl-1-azanida-2-boracyclohexa-3,5-diene
SMILESC1=C[N-]B(c2ccccn2)C=C1.[Ir].[c-]1cccc2c1c1nccn1c1ccccc21
InChIInChI=1S/C15H9N2.C9H8BN2.Ir/c1-2-7-13-11(5-1)12-6-3-4-8-14(12)17-10-9-16-15(13)17;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-6,8-10H;1-8H;/q2*-1;
InChIKeyFQLPTSROKIHQGF-UHFFFAOYSA-N
MW564.46 g/mol
LogP4.71
Rot. Bonds1

About 12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;2-pyridin-2-yl-1-azanida-2-boracyclohexa-3,5-diene

12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;2-pyridin-2-yl-1-azanida-2-boracyclohexa-3,5-diene (PubChem CID 59583141) has the molecular formula C24H17BIrN4-2 and a molecular weight of 564.46 g/mol. Its IUPAC name is 12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;2-pyridin-2-yl-1-azanida-2-boracyclohexa-3,5-diene.

Molecular Properties

Compound Name12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;2-pyridin-2-yl-1-azanida-2-boracyclohexa-3,5-diene
PubChem CID59583141
Molecular FormulaC24H17BIrN4-2
Molecular Weight564.46 g/mol
Exact Mass565.12
IUPAC Name12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;2-pyridin-2-yl-1-azanida-2-boracyclohexa-3,5-diene
SMILESC1=C[N-]B(c2ccccn2)C=C1.[Ir].[c-]1cccc2c1c1nccn1c1ccccc21
InChIInChI=1S/C15H9N2.C9H8BN2.Ir/c1-2-7-13-11(5-1)12-6-3-4-8-14(12)17-10-9-16-15(13)17;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-6,8-10H;1-8H;/q2*-1;
InChIKeyFQLPTSROKIHQGF-UHFFFAOYSA-N
XLogP4.71
TPSA44.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.46
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bromozinc(1+);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 58163088
iridium;7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;praseodymium
CID 59858700
carbanide;N,N-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-6-amine;platinum(2+);yttrium
CID 58162663
5-decyl-2-(2,4-difluorobenzene-6-id-1-yl)pyrimidine;12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 140591531
CID 58262168
CID 58262168
carbanide;iridium;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium
CID 58162854
CID 58943949
CID 58943949
CID 58944019
CID 58944019
carbanide;iridium;2-methoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium
CID 58162772
magnesium;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iodide
CID 58162949
carbanide;2-methoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+);yttrium
CID 58162733
iridium;9-(3-isocyanophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 58943943

Frequently Asked Questions

What is the IUPAC name of 12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;2-pyridin-2-yl-1-azanida-2-boracyclohexa-3,5-diene?
The IUPAC name of 12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;2-pyridin-2-yl-1-azanida-2-boracyclohexa-3,5-diene (CID 59583141) is 12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;2-pyridin-2-yl-1-azanida-2-boracyclohexa-3,5-diene.
What is the SMILES notation for 12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;2-pyridin-2-yl-1-azanida-2-boracyclohexa-3,5-diene?
The canonical SMILES for 12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;2-pyridin-2-yl-1-azanida-2-boracyclohexa-3,5-diene is C1=C[N-]B(c2ccccn2)C=C1.[Ir].[c-]1cccc2c1c1nccn1c1ccccc21.
What is the InChIKey of 12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;2-pyridin-2-yl-1-azanida-2-boracyclohexa-3,5-diene?
The InChIKey is FQLPTSROKIHQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N2.C9H8BN2.Ir/c1-2-7-13-11(5-1)12-6-3-4-8-14(12)17-10-9-16-15(13)17;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-6,8-10H;1-8H;/q2*-1;.
What are the key properties of 12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;2-pyridin-2-yl-1-azanida-2-boracyclohexa-3,5-diene?
12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;2-pyridin-2-yl-1-azanida-2-boracyclohexa-3,5-diene has a molecular weight of 564.46 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;2-pyridin-2-yl-1-azanida-2-boracyclohexa-3,5-diene is sourced from PubChem (CID 59583141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).