iridium;methane;2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;bis(pyridine-2-carboxylic acid);vanadium

C37H33F9IrN3O4V- — CID 158595644

IUPACiridium;methane;2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;bis(pyridine-2-carboxylic acid);vanadium
SMILESC.C.C.CC1(C(F)(F)F)c2cc(-c3ccc(C(F)(F)F)cn3)[c-]cc2-c2ccc(C(F)(F)F)cc21.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[V]
InChIInChI=1S/C22H11F9N.2C6H5NO2.3CH4.Ir.V/c1-19(22(29,30)31)16-8-11(18-7-4-13(10-32-18)21(26,27)28)2-5-14(16)15-6-3-12(9-17(15)19)20(23,24)25;2*8-6(9)5-3-1-2-4-7-5;;;;;/h3-10H,1H3;2*1-4H,(H,8,9);3*1H4;;/q-1;;;;;;;
InChIKeyHWMNSZUTPFDPHN-UHFFFAOYSA-N
MW997.83 g/mol
LogP10.90
Rot. Bonds3

About iridium;methane;2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;bis(pyridine-2-carboxylic acid);vanadium

iridium;methane;2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;bis(pyridine-2-carboxylic acid);vanadium (PubChem CID 158595644) has the molecular formula C37H33F9IrN3O4V- and a molecular weight of 997.83 g/mol. Its IUPAC name is iridium;methane;2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;bis(pyridine-2-carboxylic acid);vanadium.

Molecular Properties

Compound Nameiridium;methane;2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;bis(pyridine-2-carboxylic acid);vanadium
PubChem CID158595644
Molecular FormulaC37H33F9IrN3O4V-
Molecular Weight997.83 g/mol
Exact Mass998.14
IUPAC Nameiridium;methane;2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;bis(pyridine-2-carboxylic acid);vanadium
SMILESC.C.C.CC1(C(F)(F)F)c2cc(-c3ccc(C(F)(F)F)cn3)[c-]cc2-c2ccc(C(F)(F)F)cc21.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[V]
InChIInChI=1S/C22H11F9N.2C6H5NO2.3CH4.Ir.V/c1-19(22(29,30)31)16-8-11(18-7-4-13(10-32-18)21(26,27)28)2-5-14(16)15-6-3-12(9-17(15)19)20(23,24)25;2*8-6(9)5-3-1-2-4-7-5;;;;;/h3-10H,1H3;2*1-4H,(H,8,9);3*1H4;;/q-1;;;;;;;
InChIKeyHWMNSZUTPFDPHN-UHFFFAOYSA-N
XLogP10.90
TPSA113.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500997.83
LogP ≤ 510.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 59522634
CID 59522634
CID 59522671
CID 59522671
iridium;2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid
CID 59859317

Frequently Asked Questions

What is the IUPAC name of iridium;methane;2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;bis(pyridine-2-carboxylic acid);vanadium?
The IUPAC name of iridium;methane;2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;bis(pyridine-2-carboxylic acid);vanadium (CID 158595644) is iridium;methane;2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;bis(pyridine-2-carboxylic acid);vanadium.
What is the SMILES notation for iridium;methane;2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;bis(pyridine-2-carboxylic acid);vanadium?
The canonical SMILES for iridium;methane;2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;bis(pyridine-2-carboxylic acid);vanadium is C.C.C.CC1(C(F)(F)F)c2cc(-c3ccc(C(F)(F)F)cn3)[c-]cc2-c2ccc(C(F)(F)F)cc21.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[V].
What is the InChIKey of iridium;methane;2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;bis(pyridine-2-carboxylic acid);vanadium?
The InChIKey is HWMNSZUTPFDPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H11F9N.2C6H5NO2.3CH4.Ir.V/c1-19(22(29,30)31)16-8-11(18-7-4-13(10-32-18)21(26,27)28)2-5-14(16)15-6-3-12(9-17(15)19)20(23,24)25;2*8-6(9)5-3-1-2-4-7-5;;;;;/h3-10H,1H3;2*1-4H,(H,8,9);3*1H4;;/q-1;;;;;;;.
What are the key properties of iridium;methane;2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;bis(pyridine-2-carboxylic acid);vanadium?
iridium;methane;2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;bis(pyridine-2-carboxylic acid);vanadium has a molecular weight of 997.83 g/mol, XLogP of 10.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;methane;2-[9-methyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-5-(trifluoromethyl)pyridine;bis(pyridine-2-carboxylic acid);vanadium is sourced from PubChem (CID 158595644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).