CID 164734122

C36H24IrN2-2 — CID 164734122

IUPAC—
SMILESCC12c3ccccc3-c3cccnc3-c3[c-]ccc(c31)-c1ccccc12.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C25H16N.C11H8N.Ir/c1-25-21-13-4-2-8-16(21)18-10-6-11-20(23(18)25)24-19(12-7-15-26-24)17-9-3-5-14-22(17)25;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;
InChIKeyOQAMZCRGZRDDIF-UHFFFAOYSA-N
MW676.82 g/mol
LogP8.41
Rot. Bonds1

About CID 164734122

CID 164734122 (PubChem CID 164734122) has the molecular formula C36H24IrN2-2 and a molecular weight of 676.82 g/mol.

Molecular Properties

Compound NameCID 164734122
PubChem CID164734122
Molecular FormulaC36H24IrN2-2
Molecular Weight676.82 g/mol
Exact Mass677.16
IUPAC Name—
SMILESCC12c3ccccc3-c3cccnc3-c3[c-]ccc(c31)-c1ccccc12.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C25H16N.C11H8N.Ir/c1-25-21-13-4-2-8-16(21)18-10-6-11-20(23(18)25)24-19(12-7-15-26-24)17-9-3-5-14-22(17)25;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;
InChIKeyOQAMZCRGZRDDIF-UHFFFAOYSA-N
XLogP8.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-5,5-dimethyl-9H-indeno[1,2-b]pyridin-9-ide;iridium;2-phenylpyridine
CID 59757340
CID 59865388
CID 59865388
iridium;tris(2-phenylpyridine)
CID 23386734
2-(2-fluorobenzene-6-id-1-yl)-3-phenylpyridine;iridium;2-phenylpyridine
CID 168822046
iridium;1-methyl-2-phenylbenzene-3-ide;bis(2-phenylpyridine)
CID 168726074
carbanide;bis(iridium);bis(2-phenylpyridine);2,7,9,9-tetramethylfluorene
CID 162045082
CID 164734290
CID 164734290
CID 177271331
CID 177271331
bis(chloroiridium(2+));tetrakis(2-phenylpyridine)
CID 54724512
CID 177271340
CID 177271340
2-[3-(9,9-dimethylfluoren-2-yl)benzene-6-id-1-yl]pyridine;bis(2-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]benzene-6-id-1-yl]pyridine);bis(2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzene-6-id-1-yl]pyridine);pentakis(iridium);tris(2-methyl-6-phenylpyridine);bis(2-phenylpyridine)
CID 157452310
chlorozinc(1+);2-phenylpyridine
CID 59773311

Frequently Asked Questions

What is the IUPAC name of CID 164734122?
The IUPAC name of CID 164734122 (CID 164734122) is not available.
What is the SMILES notation for CID 164734122?
The canonical SMILES for CID 164734122 is CC12c3ccccc3-c3cccnc3-c3[c-]ccc(c31)-c1ccccc12.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of CID 164734122?
The InChIKey is OQAMZCRGZRDDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N.C11H8N.Ir/c1-25-21-13-4-2-8-16(21)18-10-6-11-20(23(18)25)24-19(12-7-15-26-24)17-9-3-5-14-22(17)25;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 164734122?
CID 164734122 has a molecular weight of 676.82 g/mol, XLogP of 8.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164734122 is sourced from PubChem (CID 164734122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).