iridium;3-methyl-2-phenylpyridine;4-methyl-5-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)pyridine

C38H38IrN2-2 — CID 140789971

IUPACiridium;3-methyl-2-phenylpyridine;4-methyl-5-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)pyridine
SMILESCc1cc(-c2[c-]cc3c(c2)C(C)(C)CCC3(C)C)ncc1-c1ccccc1.Cc1cccnc1-c1[c-]cccc1.[Ir]
InChIInChI=1S/C26H28N.C12H10N.Ir/c1-18-15-24(27-17-21(18)19-9-7-6-8-10-19)20-11-12-22-23(16-20)26(4,5)14-13-25(22,2)3;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;/h6-10,12,15-17H,13-14H2,1-5H3;2-7,9H,1H3;/q2*-1;
InChIKeyRJDBIJXILCUUPG-UHFFFAOYSA-N
MW714.95 g/mol
LogP9.73
Rot. Bonds3

About iridium;3-methyl-2-phenylpyridine;4-methyl-5-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)pyridine

iridium;3-methyl-2-phenylpyridine;4-methyl-5-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)pyridine (PubChem CID 140789971) has the molecular formula C38H38IrN2-2 and a molecular weight of 714.95 g/mol. Its IUPAC name is iridium;3-methyl-2-phenylpyridine;4-methyl-5-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)pyridine.

Molecular Properties

Compound Nameiridium;3-methyl-2-phenylpyridine;4-methyl-5-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)pyridine
PubChem CID140789971
Molecular FormulaC38H38IrN2-2
Molecular Weight714.95 g/mol
Exact Mass715.27
IUPAC Nameiridium;3-methyl-2-phenylpyridine;4-methyl-5-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)pyridine
SMILESCc1cc(-c2[c-]cc3c(c2)C(C)(C)CCC3(C)C)ncc1-c1ccccc1.Cc1cccnc1-c1[c-]cccc1.[Ir]
InChIInChI=1S/C26H28N.C12H10N.Ir/c1-18-15-24(27-17-21(18)19-9-7-6-8-10-19)20-11-12-22-23(16-20)26(4,5)14-13-25(22,2)3;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;/h6-10,12,15-17H,13-14H2,1-5H3;2-7,9H,1H3;/q2*-1;
InChIKeyRJDBIJXILCUUPG-UHFFFAOYSA-N
XLogP9.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.95
LogP ≤ 59.73
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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Frequently Asked Questions

What is the IUPAC name of iridium;3-methyl-2-phenylpyridine;4-methyl-5-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)pyridine?
The IUPAC name of iridium;3-methyl-2-phenylpyridine;4-methyl-5-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)pyridine (CID 140789971) is iridium;3-methyl-2-phenylpyridine;4-methyl-5-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)pyridine.
What is the SMILES notation for iridium;3-methyl-2-phenylpyridine;4-methyl-5-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)pyridine?
The canonical SMILES for iridium;3-methyl-2-phenylpyridine;4-methyl-5-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)pyridine is Cc1cc(-c2[c-]cc3c(c2)C(C)(C)CCC3(C)C)ncc1-c1ccccc1.Cc1cccnc1-c1[c-]cccc1.[Ir].
What is the InChIKey of iridium;3-methyl-2-phenylpyridine;4-methyl-5-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)pyridine?
The InChIKey is RJDBIJXILCUUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N.C12H10N.Ir/c1-18-15-24(27-17-21(18)19-9-7-6-8-10-19)20-11-12-22-23(16-20)26(4,5)14-13-25(22,2)3;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;/h6-10,12,15-17H,13-14H2,1-5H3;2-7,9H,1H3;/q2*-1;.
What are the key properties of iridium;3-methyl-2-phenylpyridine;4-methyl-5-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)pyridine?
iridium;3-methyl-2-phenylpyridine;4-methyl-5-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)pyridine has a molecular weight of 714.95 g/mol, XLogP of 9.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;3-methyl-2-phenylpyridine;4-methyl-5-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydro-3H-naphthalen-3-id-2-yl)pyridine is sourced from PubChem (CID 140789971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).