iridium;2-(3-isocyanobenzene-6-id-1-yl)quinoline

C16H9IrN2- — CID 155625058

IUPACiridium;2-(3-isocyanobenzene-6-id-1-yl)quinoline
SMILES[C-]#[N+]c1cc[c-]c(-c2ccc3ccccc3n2)c1.[Ir]
InChIInChI=1S/C16H9N2.Ir/c1-17-14-7-4-6-13(11-14)16-10-9-12-5-2-3-8-15(12)18-16;/h2-5,7-11H;/q-1;
InChIKeyZNKQQIMCQHQNPY-UHFFFAOYSA-N
MW421.48 g/mol
LogP4.25
Rot. Bonds1

About iridium;2-(3-isocyanobenzene-6-id-1-yl)quinoline

iridium;2-(3-isocyanobenzene-6-id-1-yl)quinoline (PubChem CID 155625058) has the molecular formula C16H9IrN2- and a molecular weight of 421.48 g/mol. Its IUPAC name is iridium;2-(3-isocyanobenzene-6-id-1-yl)quinoline.

Molecular Properties

Compound Nameiridium;2-(3-isocyanobenzene-6-id-1-yl)quinoline
PubChem CID155625058
Molecular FormulaC16H9IrN2-
Molecular Weight421.48 g/mol
Exact Mass422.04
IUPAC Nameiridium;2-(3-isocyanobenzene-6-id-1-yl)quinoline
SMILES[C-]#[N+]c1cc[c-]c(-c2ccc3ccccc3n2)c1.[Ir]
InChIInChI=1S/C16H9N2.Ir/c1-17-14-7-4-6-13(11-14)16-10-9-12-5-2-3-8-15(12)18-16;/h2-5,7-11H;/q-1;
InChIKeyZNKQQIMCQHQNPY-UHFFFAOYSA-N
XLogP4.25
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 54.25
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

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CID 155610243
iridium;2-[3-(3-isocyanophenyl)benzene-6-id-1-yl]pyridine
CID 58401094
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CID 58162321
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CID 146899847
iridium;tris(2-phenylquinoline)
CID 122129463
2-(5-quinolin-2-yl-1H-pyrrol-2-yl)quinoline
CID 18470716
iridium;2-(3-isocyanobenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;2-phenylpyridine
CID 168821601
2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline
CID 176883836
2-(3,4-dimethylbenzene-6-id-1-yl)quinoline;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 58162324
benzene;2-[3-methyl-4-(3-methyl-6-phenyl-2-quinolin-2-yl-4-pyridinyl)-6-phenyl-2-pyridinyl]quinoline;bis(platinum(2+))
CID 23528042

Frequently Asked Questions

What is the IUPAC name of iridium;2-(3-isocyanobenzene-6-id-1-yl)quinoline?
The IUPAC name of iridium;2-(3-isocyanobenzene-6-id-1-yl)quinoline (CID 155625058) is iridium;2-(3-isocyanobenzene-6-id-1-yl)quinoline.
What is the SMILES notation for iridium;2-(3-isocyanobenzene-6-id-1-yl)quinoline?
The canonical SMILES for iridium;2-(3-isocyanobenzene-6-id-1-yl)quinoline is [C-]#[N+]c1cc[c-]c(-c2ccc3ccccc3n2)c1.[Ir].
What is the InChIKey of iridium;2-(3-isocyanobenzene-6-id-1-yl)quinoline?
The InChIKey is ZNKQQIMCQHQNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9N2.Ir/c1-17-14-7-4-6-13(11-14)16-10-9-12-5-2-3-8-15(12)18-16;/h2-5,7-11H;/q-1;.
What are the key properties of iridium;2-(3-isocyanobenzene-6-id-1-yl)quinoline?
iridium;2-(3-isocyanobenzene-6-id-1-yl)quinoline has a molecular weight of 421.48 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-(3-isocyanobenzene-6-id-1-yl)quinoline is sourced from PubChem (CID 155625058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).