iridium;methanol;5-(2-methylpropyl)-2-(2H-naphthalen-2-id-1-yl)pyridine

C21H26IrNO2- — CID 154600620

IUPACiridium;methanol;5-(2-methylpropyl)-2-(2H-naphthalen-2-id-1-yl)pyridine
SMILESCC(C)Cc1ccc(-c2[c-]ccc3ccccc23)nc1.CO.CO.[Ir]
InChIInChI=1S/C19H18N.2CH4O.Ir/c1-14(2)12-15-10-11-19(20-13-15)18-9-5-7-16-6-3-4-8-17(16)18;2*1-2;/h3-8,10-11,13-14H,12H2,1-2H3;2*2H,1H3;/q-1;;;
InChIKeyTXPWRBNSVMTHGW-UHFFFAOYSA-N
MW516.66 g/mol
LogP4.11
Rot. Bonds3

About iridium;methanol;5-(2-methylpropyl)-2-(2H-naphthalen-2-id-1-yl)pyridine

iridium;methanol;5-(2-methylpropyl)-2-(2H-naphthalen-2-id-1-yl)pyridine (PubChem CID 154600620) has the molecular formula C21H26IrNO2- and a molecular weight of 516.66 g/mol. Its IUPAC name is iridium;methanol;5-(2-methylpropyl)-2-(2H-naphthalen-2-id-1-yl)pyridine.

Molecular Properties

Compound Nameiridium;methanol;5-(2-methylpropyl)-2-(2H-naphthalen-2-id-1-yl)pyridine
PubChem CID154600620
Molecular FormulaC21H26IrNO2-
Molecular Weight516.66 g/mol
Exact Mass517.16
IUPAC Nameiridium;methanol;5-(2-methylpropyl)-2-(2H-naphthalen-2-id-1-yl)pyridine
SMILESCC(C)Cc1ccc(-c2[c-]ccc3ccccc23)nc1.CO.CO.[Ir]
InChIInChI=1S/C19H18N.2CH4O.Ir/c1-14(2)12-15-10-11-19(20-13-15)18-9-5-7-16-6-3-4-8-17(16)18;2*1-2;/h3-8,10-11,13-14H,12H2,1-2H3;2*2H,1H3;/q-1;;;
InChIKeyTXPWRBNSVMTHGW-UHFFFAOYSA-N
XLogP4.11
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.66
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

iridium;2-(2H-naphthalen-2-id-1-yl)pyridine;pentane-2,4-dione
CID 164702305
(Z)-4-hydroxypent-3-en-2-one;iridium;3-(2H-naphthalen-2-id-1-yl)phenanthro[9,10-c]pyridine
CID 59575301
2-(2-methylphenyl)-5-(2-methylpropyl)pyridine
CID 129095802
iridium;2-methyl-3-(2H-naphthalen-2-id-1-yl)pyrazine;pentane-2,4-diol
CID 58219448
2-(4-methylphenyl)-5-(2-methylpropyl)pyridine
CID 71106004
bis(2-(2H-naphthalen-2-id-1-yl)pyridine);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide)
CID 176621902
3-(2H-naphthalen-2-id-1-yl)-6-pyridin-2-yl-2H-pyridin-2-ide;yttrium
CID 58813552
bis(5-ethyl-2-phenylpyridine);iridium;methanol
CID 165162090
tetrakis(iridium);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine
CID 159542369
4-hydroxypent-3-en-2-one;iridium;2-(2H-naphthalen-2-id-1-yl)quinoline
CID 169431906
5-(2-methylpropyl)-2-prop-1-en-2-ylpyridine
CID 146203799
3-(2-methylpropyl)quinoline
CID 12072851

Frequently Asked Questions

What is the IUPAC name of iridium;methanol;5-(2-methylpropyl)-2-(2H-naphthalen-2-id-1-yl)pyridine?
The IUPAC name of iridium;methanol;5-(2-methylpropyl)-2-(2H-naphthalen-2-id-1-yl)pyridine (CID 154600620) is iridium;methanol;5-(2-methylpropyl)-2-(2H-naphthalen-2-id-1-yl)pyridine.
What is the SMILES notation for iridium;methanol;5-(2-methylpropyl)-2-(2H-naphthalen-2-id-1-yl)pyridine?
The canonical SMILES for iridium;methanol;5-(2-methylpropyl)-2-(2H-naphthalen-2-id-1-yl)pyridine is CC(C)Cc1ccc(-c2[c-]ccc3ccccc23)nc1.CO.CO.[Ir].
What is the InChIKey of iridium;methanol;5-(2-methylpropyl)-2-(2H-naphthalen-2-id-1-yl)pyridine?
The InChIKey is TXPWRBNSVMTHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N.2CH4O.Ir/c1-14(2)12-15-10-11-19(20-13-15)18-9-5-7-16-6-3-4-8-17(16)18;2*1-2;/h3-8,10-11,13-14H,12H2,1-2H3;2*2H,1H3;/q-1;;;.
What are the key properties of iridium;methanol;5-(2-methylpropyl)-2-(2H-naphthalen-2-id-1-yl)pyridine?
iridium;methanol;5-(2-methylpropyl)-2-(2H-naphthalen-2-id-1-yl)pyridine has a molecular weight of 516.66 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;methanol;5-(2-methylpropyl)-2-(2H-naphthalen-2-id-1-yl)pyridine is sourced from PubChem (CID 154600620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).