iridium;1-(1H-naphthalen-1-id-2-yl)isoquinoline

C19H12IrN- — CID 59404042

IUPACiridium;1-(1H-naphthalen-1-id-2-yl)isoquinoline
SMILES[Ir].[c-]1c(-c2nccc3ccccc23)ccc2ccccc12
InChIInChI=1S/C19H12N.Ir/c1-2-7-16-13-17(10-9-14(16)5-1)19-18-8-4-3-6-15(18)11-12-20-19;/h1-12H;/q-1;
InChIKeyCANJHTGNHZQJFC-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.85
Rot. Bonds1

About iridium;1-(1H-naphthalen-1-id-2-yl)isoquinoline

iridium;1-(1H-naphthalen-1-id-2-yl)isoquinoline (PubChem CID 59404042) has the molecular formula C19H12IrN- and a molecular weight of 446.53 g/mol. Its IUPAC name is iridium;1-(1H-naphthalen-1-id-2-yl)isoquinoline.

Molecular Properties

Compound Nameiridium;1-(1H-naphthalen-1-id-2-yl)isoquinoline
PubChem CID59404042
Molecular FormulaC19H12IrN-
Molecular Weight446.53 g/mol
Exact Mass447.06
IUPAC Nameiridium;1-(1H-naphthalen-1-id-2-yl)isoquinoline
SMILES[Ir].[c-]1c(-c2nccc3ccccc23)ccc2ccccc12
InChIInChI=1S/C19H12N.Ir/c1-2-7-16-13-17(10-9-14(16)5-1)19-18-8-4-3-6-15(18)11-12-20-19;/h1-12H;/q-1;
InChIKeyCANJHTGNHZQJFC-UHFFFAOYSA-N
XLogP4.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.85
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

chloroplatinum(1+);1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)isoquinoline
CID 21024818
CID 59340244
CID 59340244
(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium;1-(1H-naphthalen-1-id-2-yl)benzo[h]isoquinoline
CID 162482605
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;bis(1-(1H-naphthalen-1-id-2-yl)benzo[g]isoquinoline)
CID 176724006
1-(4-fluorobenzene-6-id-1-yl)isoquinoline
CID 102348692
iridium;bis(1-(1H-naphthalen-1-id-2-yl)-[1]benzofuro[3,2-c]pyridine);pyridine-2-carboxylic acid
CID 176724016
iridium;1-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline
CID 58986707
carbanide;iridium;1-phenylisoquinoline
CID 166502152
1-(4-butylbenzene-6-id-1-yl)isoquinoline;iridium
CID 58986664
1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-N-(1-phenylnaphthalen-2-yl)methanimine;palladium(2+)
CID 58233109
1-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]isoquinoline;iridium
CID 140587074
1-(4-ethylphenyl)isoquinoline
CID 58184660

Frequently Asked Questions

What is the IUPAC name of iridium;1-(1H-naphthalen-1-id-2-yl)isoquinoline?
The IUPAC name of iridium;1-(1H-naphthalen-1-id-2-yl)isoquinoline (CID 59404042) is iridium;1-(1H-naphthalen-1-id-2-yl)isoquinoline.
What is the SMILES notation for iridium;1-(1H-naphthalen-1-id-2-yl)isoquinoline?
The canonical SMILES for iridium;1-(1H-naphthalen-1-id-2-yl)isoquinoline is [Ir].[c-]1c(-c2nccc3ccccc23)ccc2ccccc12.
What is the InChIKey of iridium;1-(1H-naphthalen-1-id-2-yl)isoquinoline?
The InChIKey is CANJHTGNHZQJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N.Ir/c1-2-7-16-13-17(10-9-14(16)5-1)19-18-8-4-3-6-15(18)11-12-20-19;/h1-12H;/q-1;.
What are the key properties of iridium;1-(1H-naphthalen-1-id-2-yl)isoquinoline?
iridium;1-(1H-naphthalen-1-id-2-yl)isoquinoline has a molecular weight of 446.53 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-(1H-naphthalen-1-id-2-yl)isoquinoline is sourced from PubChem (CID 59404042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).