carbanide;iridium;1-methanidyl-2-(2-methanidylphenyl)-5-methylpyridin-1-ium

C16H20IrN-3 — CID 164778588

IUPACcarbanide;iridium;1-methanidyl-2-(2-methanidylphenyl)-5-methylpyridin-1-ium
SMILES[CH2-]c1ccccc1-c1ccc(C)c[n+]1[CH2-].[CH3-].[CH3-].[Ir]
InChIInChI=1S/C14H14N.2CH3.Ir/c1-11-8-9-14(15(3)10-11)13-7-5-4-6-12(13)2;;;/h4-10H,2-3H2,1H3;2*1H3;/q3*-1;
InChIKeyHTNPHQSUSZUBQT-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.67
Rot. Bonds1

About carbanide;iridium;1-methanidyl-2-(2-methanidylphenyl)-5-methylpyridin-1-ium

carbanide;iridium;1-methanidyl-2-(2-methanidylphenyl)-5-methylpyridin-1-ium (PubChem CID 164778588) has the molecular formula C16H20IrN-3 and a molecular weight of 418.56 g/mol. Its IUPAC name is carbanide;iridium;1-methanidyl-2-(2-methanidylphenyl)-5-methylpyridin-1-ium.

Molecular Properties

Compound Namecarbanide;iridium;1-methanidyl-2-(2-methanidylphenyl)-5-methylpyridin-1-ium
PubChem CID164778588
Molecular FormulaC16H20IrN-3
Molecular Weight418.56 g/mol
Exact Mass419.12
IUPAC Namecarbanide;iridium;1-methanidyl-2-(2-methanidylphenyl)-5-methylpyridin-1-ium
SMILES[CH2-]c1ccccc1-c1ccc(C)c[n+]1[CH2-].[CH3-].[CH3-].[Ir]
InChIInChI=1S/C14H14N.2CH3.Ir/c1-11-8-9-14(15(3)10-11)13-7-5-4-6-12(13)2;;;/h4-10H,2-3H2,1H3;2*1H3;/q3*-1;
InChIKeyHTNPHQSUSZUBQT-UHFFFAOYSA-N
XLogP3.67
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

iridium;1-methanidyl-2-(2-methanidylphenyl)-4-methyl-5-phenylpyridin-1-ium;1-methanidyl-2-(2-methanidylphenyl)pyridin-1-ium;1-methanidyl-2-phenylpyridin-1-ium
CID 172513168
2-methanidyl-1-(2-methanidylphenyl)isoquinolin-2-ium;1-methanidyl-2-(2-methanidylphenyl)-4-methylpyridin-1-ium;platinum(4+)
CID 58661038
1,5-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]pyridin-1-ium
CID 140920519
1,5-dimethyl-2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]pyridin-1-ium
CID 140944271
iridium;1-methanidyl-6-(2-methanidylphenyl)-2,4-dimethyl-3-phenylpyridin-1-ium;bis(propan-2-ol)
CID 167366150
3,6-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium
CID 59725414
2-(1-deuterio-3,9,9-trimethylfluoren-4-yl)-1,5-dimethylpyridin-1-ium
CID 158548447
1,5-dimethyl-2-(2-methyl-4-phenylphenyl)pyridin-1-ium
CID 58240297
iridium;1-methanidyl-2-(3-methanidyl-8-phenyldibenzofuran-4-yl)-4-(3-methylbutan-2-yl)pyridin-1-ium;[1-methanidyl-6-(2-methanidylphenyl)pyridin-1-ium-3-yl]-trimethylgermane
CID 166574458
sodium;hydride;2-(4-methylphenyl)benzenethiol
CID 175197737
1-methyl-4-(2-phenylphenyl)benzene;phosphoric acid
CID 67896941
5-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 123794284

Frequently Asked Questions

What is the IUPAC name of carbanide;iridium;1-methanidyl-2-(2-methanidylphenyl)-5-methylpyridin-1-ium?
The IUPAC name of carbanide;iridium;1-methanidyl-2-(2-methanidylphenyl)-5-methylpyridin-1-ium (CID 164778588) is carbanide;iridium;1-methanidyl-2-(2-methanidylphenyl)-5-methylpyridin-1-ium.
What is the SMILES notation for carbanide;iridium;1-methanidyl-2-(2-methanidylphenyl)-5-methylpyridin-1-ium?
The canonical SMILES for carbanide;iridium;1-methanidyl-2-(2-methanidylphenyl)-5-methylpyridin-1-ium is [CH2-]c1ccccc1-c1ccc(C)c[n+]1[CH2-].[CH3-].[CH3-].[Ir].
What is the InChIKey of carbanide;iridium;1-methanidyl-2-(2-methanidylphenyl)-5-methylpyridin-1-ium?
The InChIKey is HTNPHQSUSZUBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N.2CH3.Ir/c1-11-8-9-14(15(3)10-11)13-7-5-4-6-12(13)2;;;/h4-10H,2-3H2,1H3;2*1H3;/q3*-1;.
What are the key properties of carbanide;iridium;1-methanidyl-2-(2-methanidylphenyl)-5-methylpyridin-1-ium?
carbanide;iridium;1-methanidyl-2-(2-methanidylphenyl)-5-methylpyridin-1-ium has a molecular weight of 418.56 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;iridium;1-methanidyl-2-(2-methanidylphenyl)-5-methylpyridin-1-ium is sourced from PubChem (CID 164778588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).