CID 59621930

C19H10IrN- — CID 59621930

IUPAC—
SMILES[Ir].[c-]1cccc2ccc3c4c5c(cccc5nc3c12)C=C4
InChIInChI=1S/C19H10N.Ir/c1-2-6-14-12(4-1)8-11-16-15-10-9-13-5-3-7-17(18(13)15)20-19(14)16;/h1-5,7-11H;/q-1;
InChIKeyVNUHUESGXGYLSC-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.82
Rot. Bonds

About CID 59621930

CID 59621930 (PubChem CID 59621930) has the molecular formula C19H10IrN- and a molecular weight of 444.51 g/mol.

Molecular Properties

Compound NameCID 59621930
PubChem CID59621930
Molecular FormulaC19H10IrN-
Molecular Weight444.51 g/mol
Exact Mass445.04
IUPAC Name—
SMILES[Ir].[c-]1cccc2ccc3c4c5c(cccc5nc3c12)C=C4
InChIInChI=1S/C19H10N.Ir/c1-2-6-14-12(4-1)8-11-16-15-10-9-13-5-3-7-17(18(13)15)20-19(14)16;/h1-5,7-11H;/q-1;
InChIKeyVNUHUESGXGYLSC-UHFFFAOYSA-N
XLogP4.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59621930?
The IUPAC name of CID 59621930 (CID 59621930) is not available.
What is the SMILES notation for CID 59621930?
The canonical SMILES for CID 59621930 is [Ir].[c-]1cccc2ccc3c4c5c(cccc5nc3c12)C=C4.
What is the InChIKey of CID 59621930?
The InChIKey is VNUHUESGXGYLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10N.Ir/c1-2-6-14-12(4-1)8-11-16-15-10-9-13-5-3-7-17(18(13)15)20-19(14)16;/h1-5,7-11H;/q-1;.
What are the key properties of CID 59621930?
CID 59621930 has a molecular weight of 444.51 g/mol, XLogP of 4.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59621930 is sourced from PubChem (CID 59621930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).