CID 162485985

C35H24IrN2O-2 — CID 162485985

IUPAC—
SMILESCc1ccc(-c2[c-]ccc3c2Oc2ccccc2-c2ccccc2-3)nc1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C24H16NO.C11H8N.Ir/c1-16-13-14-22(25-15-16)21-11-6-10-20-18-8-3-2-7-17(18)19-9-4-5-12-23(19)26-24(20)21;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-10,12-15H,1H3;1-6,8-9H;/q2*-1;
InChIKeySSMGZRISHBHQGV-UHFFFAOYSA-N
MW680.81 g/mol
LogP8.84
Rot. Bonds2

About CID 162485985

CID 162485985 (PubChem CID 162485985) has the molecular formula C35H24IrN2O-2 and a molecular weight of 680.81 g/mol.

Molecular Properties

Compound NameCID 162485985
PubChem CID162485985
Molecular FormulaC35H24IrN2O-2
Molecular Weight680.81 g/mol
Exact Mass681.15
IUPAC Name—
SMILESCc1ccc(-c2[c-]ccc3c2Oc2ccccc2-c2ccccc2-3)nc1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C24H16NO.C11H8N.Ir/c1-16-13-14-22(25-15-16)21-11-6-10-20-18-8-3-2-7-17(18)19-9-4-5-12-23(19)26-24(20)21;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-10,12-15H,1H3;1-6,8-9H;/q2*-1;
InChIKeySSMGZRISHBHQGV-UHFFFAOYSA-N
XLogP8.84
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.81
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 162485985 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 169025676
CID 169025676
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;5-methyl-2-phenylpyridine
CID 140775803
CID 162486024
CID 162486024
CID 162485926
CID 162485926
2-(8H-[1]benzothiolo[6,7-b][1]benzofuran-8-id-7-yl)pyridine;iridium;5-methyl-2-phenylpyridine
CID 168830080
pentakis(iridium);pentakis(2-(3-methylbenzene-6-id-1-yl)pyridine);5-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;bis(4-methyl-2-phenylpyridine);bis(5-methyl-2-phenylpyridine)
CID 159709383
bis(iridium);2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine
CID 163719689
iridium;4-(5-methyl-2-pyridinyl)-2-phenylpyridine;2-phenylpyridine
CID 166035043
CID 162486003
CID 162486003
iridium;2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane
CID 155608412
iridium;5-methyl-2-phenylpyridine;2-[3-(1-phenylethyl)benzene-6-id-1-yl]pyridine
CID 162710156
iridium;5-(2-methylphenyl)-2-phenylpyridine;2-phenylpyridine
CID 58435113

Frequently Asked Questions

What is the IUPAC name of CID 162485985?
The IUPAC name of CID 162485985 (CID 162485985) is not available.
What is the SMILES notation for CID 162485985?
The canonical SMILES for CID 162485985 is Cc1ccc(-c2[c-]ccc3c2Oc2ccccc2-c2ccccc2-3)nc1.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of CID 162485985?
The InChIKey is SSMGZRISHBHQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16NO.C11H8N.Ir/c1-16-13-14-22(25-15-16)21-11-6-10-20-18-8-3-2-7-17(18)19-9-4-5-12-23(19)26-24(20)21;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-10,12-15H,1H3;1-6,8-9H;/q2*-1;.
What are the key properties of CID 162485985?
CID 162485985 has a molecular weight of 680.81 g/mol, XLogP of 8.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162485985 is sourced from PubChem (CID 162485985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).