CID 167332233

C41H37GeIrN2O-2 — CID 167332233

IUPAC—
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)C.Cc1ccnc(-c2[c-]cc3oc4ccc(-c5ccccc5)cc4c3c2)c1.[Ir]
InChIInChI=1S/C24H16NO.C17H21GeN.Ir/c1-16-11-12-25-22(13-16)19-8-10-24-21(15-19)20-14-18(7-9-23(20)26-24)17-5-3-2-4-6-17;1-13(2)10-15-11-17(14-8-6-5-7-9-14)19-12-16(15)18(3)4;/h2-7,9-15H,1H3;5-8,11-13H,10H2,1-4H3;/q2*-1;
InChIKeyJXCSPTVOTDJLLG-UHFFFAOYSA-N
MW838.59 g/mol
LogP10.13
Rot. Bonds6

About CID 167332233

CID 167332233 (PubChem CID 167332233) has the molecular formula C41H37GeIrN2O-2 and a molecular weight of 838.59 g/mol.

Molecular Properties

Compound NameCID 167332233
PubChem CID167332233
Molecular FormulaC41H37GeIrN2O-2
Molecular Weight838.59 g/mol
Exact Mass840.18
IUPAC Name—
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)C.Cc1ccnc(-c2[c-]cc3oc4ccc(-c5ccccc5)cc4c3c2)c1.[Ir]
InChIInChI=1S/C24H16NO.C17H21GeN.Ir/c1-16-11-12-25-22(13-16)19-8-10-24-21(15-19)20-14-18(7-9-23(20)26-24)17-5-3-2-4-6-17;1-13(2)10-15-11-17(14-8-6-5-7-9-14)19-12-16(15)18(3)4;/h2-7,9-15H,1H3;5-8,11-13H,10H2,1-4H3;/q2*-1;
InChIKeyJXCSPTVOTDJLLG-UHFFFAOYSA-N
XLogP10.13
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.59
LogP ≤ 510.13
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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Related Compounds

iridium;4-methyl-2-(7-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578482
iridium;4-(1-phenylethyl)-2-[8-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 166575688
4-benzyl-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;2-phenylpyridine
CID 162707908
[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-pentan-3-yl-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine
CID 166578796
4-(2-deuteriopropan-2-yl)-2-(8-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578701
4-[dideuterio(phenyl)methyl]-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;2-phenylpyridine
CID 162707434
4-(2,2-dimethylpropyl)-2-(8-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166574783
[4-[8-[4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-7H-dibenzofuran-7-id-2-yl]phenyl]-trimethylgermane;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166575608
2-(3H-dibenzofuran-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156658879
iridium;2-phenyl-6-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 155612220
iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;4-phenyl-2-phenylpyridine
CID 176756153
4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)-6-methylpyridine);2-(3H-dibenzofuran-3-id-2-yl)pyridine;hexakis(iridium);5-methyl-2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine)
CID 158436561

Frequently Asked Questions

What is the IUPAC name of CID 167332233?
The IUPAC name of CID 167332233 (CID 167332233) is not available.
What is the SMILES notation for CID 167332233?
The canonical SMILES for CID 167332233 is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)C.Cc1ccnc(-c2[c-]cc3oc4ccc(-c5ccccc5)cc4c3c2)c1.[Ir].
What is the InChIKey of CID 167332233?
The InChIKey is JXCSPTVOTDJLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16NO.C17H21GeN.Ir/c1-16-11-12-25-22(13-16)19-8-10-24-21(15-19)20-14-18(7-9-23(20)26-24)17-5-3-2-4-6-17;1-13(2)10-15-11-17(14-8-6-5-7-9-14)19-12-16(15)18(3)4;/h2-7,9-15H,1H3;5-8,11-13H,10H2,1-4H3;/q2*-1;.
What are the key properties of CID 167332233?
CID 167332233 has a molecular weight of 838.59 g/mol, XLogP of 10.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167332233 is sourced from PubChem (CID 167332233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).