(9,9-dimethyl-3-phenylindeno[2,1-c]pyridin-6-yl)-trimethylgermane;iridium;2-phenylpyridine

C34H32GeIrN2-2 — CID 166018702

IUPAC(9,9-dimethyl-3-phenylindeno[2,1-c]pyridin-6-yl)-trimethylgermane;iridium;2-phenylpyridine
SMILESCC1(C)c2ccc([Ge](C)(C)C)cc2-c2cc(-c3[c-]cccc3)ncc21.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C23H24GeN.C11H8N.Ir/c1-23(2)20-12-11-17(24(3,4)5)13-18(20)19-14-22(25-15-21(19)23)16-9-7-6-8-10-16;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h6-9,11-15H,1-5H3;1-6,8-9H;/q2*-1;
InChIKeyBLYDKEDEDGGLQS-UHFFFAOYSA-N
MW733.47 g/mol
LogP7.95
Rot. Bonds3

About (9,9-dimethyl-3-phenylindeno[2,1-c]pyridin-6-yl)-trimethylgermane;iridium;2-phenylpyridine

(9,9-dimethyl-3-phenylindeno[2,1-c]pyridin-6-yl)-trimethylgermane;iridium;2-phenylpyridine (PubChem CID 166018702) has the molecular formula C34H32GeIrN2-2 and a molecular weight of 733.47 g/mol. Its IUPAC name is (9,9-dimethyl-3-phenylindeno[2,1-c]pyridin-6-yl)-trimethylgermane;iridium;2-phenylpyridine.

Molecular Properties

Compound Name(9,9-dimethyl-3-phenylindeno[2,1-c]pyridin-6-yl)-trimethylgermane;iridium;2-phenylpyridine
PubChem CID166018702
Molecular FormulaC34H32GeIrN2-2
Molecular Weight733.47 g/mol
Exact Mass735.14
IUPAC Name(9,9-dimethyl-3-phenylindeno[2,1-c]pyridin-6-yl)-trimethylgermane;iridium;2-phenylpyridine
SMILESCC1(C)c2ccc([Ge](C)(C)C)cc2-c2cc(-c3[c-]cccc3)ncc21.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C23H24GeN.C11H8N.Ir/c1-23(2)20-12-11-17(24(3,4)5)13-18(20)19-14-22(25-15-21(19)23)16-9-7-6-8-10-16;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h6-9,11-15H,1-5H3;1-6,8-9H;/q2*-1;
InChIKeyBLYDKEDEDGGLQS-UHFFFAOYSA-N
XLogP7.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.47
LogP ≤ 57.95
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

iridium;2-phenylpyridine;5,5,7,7-tetramethyl-3-phenyl-6H-cyclopenta[c]pyridine
CID 140677107
(9,9-dimethyl-3-phenylindeno[2,1-c]pyridin-6-yl)-trimethylgermane
CID 166018571
carbanide;bis(iridium);bis(2-phenylpyridine);2,7,9,9-tetramethylfluorene
CID 162045082
iridium;tris(2-phenylpyridine)
CID 23386734
2-(5,5,7,7,9,9-hexamethyl-6,8-dihydro-2H-benzo[7]annulen-2-id-3-yl)pyridine;5,5,7,7,9,9-hexamethyl-3-phenyl-6,8-dihydrocyclohepta[c]pyridine;iridium
CID 140789866
iridium;4-methyl-5-phenyl-2-phenylpyridine;phenylbenzene;2-phenylpyridine
CID 164769072
bis(chloroiridium(2+));tetrakis(2-phenylpyridine)
CID 54724512
iridium;2-phenylpyridine;2-(9,9,10,10-tetramethyl-6-propan-2-yl-2H-anthracen-2-id-1-yl)pyridine
CID 171590611
3-(3H-dibenzothiophen-3-id-4-yl)-5,5-dimethylindeno[1,2-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 170531528
iridium;5,5,8,8-tetramethyl-3-phenyl-6,7-dihydroisoquinoline
CID 140790056
CID 159558057
CID 159558057
iridium;3-(3-methylbenzene-6-id-1-yl)isoquinoline;2-phenylpyridine
CID 155620539

Frequently Asked Questions

What is the IUPAC name of (9,9-dimethyl-3-phenylindeno[2,1-c]pyridin-6-yl)-trimethylgermane;iridium;2-phenylpyridine?
The IUPAC name of (9,9-dimethyl-3-phenylindeno[2,1-c]pyridin-6-yl)-trimethylgermane;iridium;2-phenylpyridine (CID 166018702) is (9,9-dimethyl-3-phenylindeno[2,1-c]pyridin-6-yl)-trimethylgermane;iridium;2-phenylpyridine.
What is the SMILES notation for (9,9-dimethyl-3-phenylindeno[2,1-c]pyridin-6-yl)-trimethylgermane;iridium;2-phenylpyridine?
The canonical SMILES for (9,9-dimethyl-3-phenylindeno[2,1-c]pyridin-6-yl)-trimethylgermane;iridium;2-phenylpyridine is CC1(C)c2ccc([Ge](C)(C)C)cc2-c2cc(-c3[c-]cccc3)ncc21.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of (9,9-dimethyl-3-phenylindeno[2,1-c]pyridin-6-yl)-trimethylgermane;iridium;2-phenylpyridine?
The InChIKey is BLYDKEDEDGGLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24GeN.C11H8N.Ir/c1-23(2)20-12-11-17(24(3,4)5)13-18(20)19-14-22(25-15-21(19)23)16-9-7-6-8-10-16;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h6-9,11-15H,1-5H3;1-6,8-9H;/q2*-1;.
What are the key properties of (9,9-dimethyl-3-phenylindeno[2,1-c]pyridin-6-yl)-trimethylgermane;iridium;2-phenylpyridine?
(9,9-dimethyl-3-phenylindeno[2,1-c]pyridin-6-yl)-trimethylgermane;iridium;2-phenylpyridine has a molecular weight of 733.47 g/mol, XLogP of 7.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9,9-dimethyl-3-phenylindeno[2,1-c]pyridin-6-yl)-trimethylgermane;iridium;2-phenylpyridine is sourced from PubChem (CID 166018702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).