CID 59359420

C14H10IrN3- — CID 59359420

IUPAC—
SMILESCn1[c-]c2c(c1)c1ccccc1c1ccnn21.[Ir]
InChIInChI=1S/C14H10N3.Ir/c1-16-8-12-10-4-2-3-5-11(10)13-6-7-15-17(13)14(12)9-16;/h2-8H,1H3;/q-1;
InChIKeyUCSBPRXLUPMWKH-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.78
Rot. Bonds

About CID 59359420

CID 59359420 (PubChem CID 59359420) has the molecular formula C14H10IrN3- and a molecular weight of 412.47 g/mol.

Molecular Properties

Compound NameCID 59359420
PubChem CID59359420
Molecular FormulaC14H10IrN3-
Molecular Weight412.47 g/mol
Exact Mass413.05
IUPAC Name—
SMILESCn1[c-]c2c(c1)c1ccccc1c1ccnn21.[Ir]
InChIInChI=1S/C14H10N3.Ir/c1-16-8-12-10-4-2-3-5-11(10)13-6-7-15-17(13)14(12)9-16;/h2-8H,1H3;/q-1;
InChIKeyUCSBPRXLUPMWKH-UHFFFAOYSA-N
XLogP2.78
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59359420?
The IUPAC name of CID 59359420 (CID 59359420) is not available.
What is the SMILES notation for CID 59359420?
The canonical SMILES for CID 59359420 is Cn1[c-]c2c(c1)c1ccccc1c1ccnn21.[Ir].
What is the InChIKey of CID 59359420?
The InChIKey is UCSBPRXLUPMWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N3.Ir/c1-16-8-12-10-4-2-3-5-11(10)13-6-7-15-17(13)14(12)9-16;/h2-8H,1H3;/q-1;.
What are the key properties of CID 59359420?
CID 59359420 has a molecular weight of 412.47 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59359420 is sourced from PubChem (CID 59359420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).