CID 162498211

C32H30IrN4OSi-2 — CID 162498211

IUPAC—
SMILESCc1cc2c(oc3n[c-]c(-c4ccc([Si](C)(C)C)cn4)cc32)c(C)n1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir]
InChIInChI=1S/C20H20N3OSi.C12H10N.Ir/c1-12-8-16-17-9-14(10-22-20(17)24-19(16)13(2)23-12)18-7-6-15(11-21-18)25(3,4)5;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h6-9,11H,1-5H3;2-5,7-9H,1H3;/q2*-1;
InChIKeyQUAAJPACVINBLW-UHFFFAOYSA-N
MW706.92 g/mol
LogP7.25
Rot. Bonds3

About CID 162498211

CID 162498211 (PubChem CID 162498211) has the molecular formula C32H30IrN4OSi-2 and a molecular weight of 706.92 g/mol.

Molecular Properties

Compound NameCID 162498211
PubChem CID162498211
Molecular FormulaC32H30IrN4OSi-2
Molecular Weight706.92 g/mol
Exact Mass707.18
IUPAC Name—
SMILESCc1cc2c(oc3n[c-]c(-c4ccc([Si](C)(C)C)cn4)cc32)c(C)n1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir]
InChIInChI=1S/C20H20N3OSi.C12H10N.Ir/c1-12-8-16-17-9-14(10-22-20(17)24-19(16)13(2)23-12)18-7-6-15(11-21-18)25(3,4)5;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h6-9,11H,1-5H3;2-5,7-9H,1H3;/q2*-1;
InChIKeyQUAAJPACVINBLW-UHFFFAOYSA-N
XLogP7.25
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.92
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 162498211 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

[6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(1,3-dimethyl-7H-[1]benzofuro[2,3-c]pyridin-7-id-6-yl)-3-pyridinyl]-dimethyl-phenylsilane;dimethyl-[6-(7-methyl-3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-phenylsilane;tris(iridium);tris(2-phenylpyridine)
CID 160516375
[6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(1,3-dimethyl-7H-[1]benzofuro[2,3-c]pyridin-7-id-6-yl)-3-pyridinyl]-dimethyl-phenylsilane;dimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]-phenylsilane;tris(iridium);tris(2-phenylpyridine)
CID 159227979
[6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 162498235
iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]silane
CID 155608840
[6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-3-pyridinyl]-trimethylsilane;[6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tris(5-methyl-2-phenylpyridine);2-phenylpyridine;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]silane
CID 157247328
CID 176823192
CID 176823192
[6-(3H-[1]benzofuro[3,2-c]pyridin-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium;2-phenyl-5-(trideuteriomethyl)pyridine
CID 162498288
[6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-3-pyridinyl]-trimethylsilane;[6-(7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;tris(trimethyl-(6-phenyl-3-pyridinyl)silane)
CID 158870290
CID 156671011
CID 156671011
4,6-dimethyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-3-phenylimidazo[4,5-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 164824755
8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-3-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 164712500
iridium;2-methyl-8-[5-methyl-4-(6-methylnaphthalen-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine
CID 176779523

Frequently Asked Questions

What is the IUPAC name of CID 162498211?
The IUPAC name of CID 162498211 (CID 162498211) is not available.
What is the SMILES notation for CID 162498211?
The canonical SMILES for CID 162498211 is Cc1cc2c(oc3n[c-]c(-c4ccc([Si](C)(C)C)cn4)cc32)c(C)n1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir].
What is the InChIKey of CID 162498211?
The InChIKey is QUAAJPACVINBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N3OSi.C12H10N.Ir/c1-12-8-16-17-9-14(10-22-20(17)24-19(16)13(2)23-12)18-7-6-15(11-21-18)25(3,4)5;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h6-9,11H,1-5H3;2-5,7-9H,1H3;/q2*-1;.
What are the key properties of CID 162498211?
CID 162498211 has a molecular weight of 706.92 g/mol, XLogP of 7.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162498211 is sourced from PubChem (CID 162498211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).