2-(4-fluorobenzene-6-id-1-yl)-4-(trifluoromethyl)pyridine;pentakis(iridium);3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;tetrakis(1-phenylisoquinoline);2-phenylpyridine

C119H84F4Ir5N9-9 — CID 158119115

IUPAC2-(4-fluorobenzene-6-id-1-yl)-4-(trifluoromethyl)pyridine;pentakis(iridium);3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;tetrakis(1-phenylisoquinoline);2-phenylpyridine
SMILESCc1ccc(-c2[c-]cccc2)nc1.Cc1cccnc1-c1[c-]cccc1.Cc1ccnc(-c2[c-]cccc2)c1.Fc1c[c-]c(-c2cc(C(F)(F)F)ccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
InChIInChI=1S/4C15H10N.C12H6F4N.3C12H10N.C11H8N.5Ir/c4*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;13-10-3-1-8(2-4-10)11-7-9(5-6-17-11)12(14,15)16;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h4*1-7,9-11H;1,3-7H;2-7,9H,1H3;2*2-5,7-9H,1H3;1-6,8-9H;;;;;/q9*-1;;;;;
InChIKeyBZTFNRXUODUIRR-UHFFFAOYSA-N
MW2677.12 g/mol
LogP29.62
Rot. Bonds9

About 2-(4-fluorobenzene-6-id-1-yl)-4-(trifluoromethyl)pyridine;pentakis(iridium);3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;tetrakis(1-phenylisoquinoline);2-phenylpyridine

2-(4-fluorobenzene-6-id-1-yl)-4-(trifluoromethyl)pyridine;pentakis(iridium);3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;tetrakis(1-phenylisoquinoline);2-phenylpyridine (PubChem CID 158119115) has the molecular formula C119H84F4Ir5N9-9 and a molecular weight of 2677.12 g/mol. Its IUPAC name is 2-(4-fluorobenzene-6-id-1-yl)-4-(trifluoromethyl)pyridine;pentakis(iridium);3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;tetrakis(1-phenylisoquinoline);2-phenylpyridine.

Molecular Properties

Compound Name2-(4-fluorobenzene-6-id-1-yl)-4-(trifluoromethyl)pyridine;pentakis(iridium);3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;tetrakis(1-phenylisoquinoline);2-phenylpyridine
PubChem CID158119115
Molecular FormulaC119H84F4Ir5N9-9
Molecular Weight2677.12 g/mol
Exact Mass2679.50
IUPAC Name2-(4-fluorobenzene-6-id-1-yl)-4-(trifluoromethyl)pyridine;pentakis(iridium);3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;tetrakis(1-phenylisoquinoline);2-phenylpyridine
SMILESCc1ccc(-c2[c-]cccc2)nc1.Cc1cccnc1-c1[c-]cccc1.Cc1ccnc(-c2[c-]cccc2)c1.Fc1c[c-]c(-c2cc(C(F)(F)F)ccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
InChIInChI=1S/4C15H10N.C12H6F4N.3C12H10N.C11H8N.5Ir/c4*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;13-10-3-1-8(2-4-10)11-7-9(5-6-17-11)12(14,15)16;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h4*1-7,9-11H;1,3-7H;2-7,9H,1H3;2*2-5,7-9H,1H3;1-6,8-9H;;;;;/q9*-1;;;;;
InChIKeyBZTFNRXUODUIRR-UHFFFAOYSA-N
XLogP29.62
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms137
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002677.12
LogP ≤ 529.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-(4-fluorobenzene-6-id-1-yl)-4-(trifluoromethyl)pyridine;pentakis(iridium);3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;tetrakis(1-phenylisoquinoline);2-phenylpyridine with MolForge

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Related Compounds

4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium
CID 170518286
Bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium;2-pyridin-2-ylpyridine
CID 170518302
Ru(II)(bpy)2(Mebpy-cyclam-Ni(II))
CID 16683889
Ru(II)(bpy)2(Mebpy-cyclam-Zn(II))
CID 16683890
Ru(II)(bpy)2(Mebpy-cyclam-Cu(II))
CID 16683891
Ru(II)(bpy)2(Mebpy-cyclam-Fe(III)-Cl2)
CID 16683892
Ru(II)(bpy)2(Mebpy-cyclam-Co(III)-Cl2)
CID 16683893
[Ir(dF[CF3]ppy)2(dtbbpy)]PF6
CID 60160592
Manganese(2+);tris(2-pyridin-2-ylpyridine);bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139098886
Benzene;hexakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);hexakis(copper(1+))
CID 139132391
Tetrakis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);hexane;methanolate;bis(rhodium(3+));bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139141108
Gross107 (Sudhakar)
CID 139174614

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobenzene-6-id-1-yl)-4-(trifluoromethyl)pyridine;pentakis(iridium);3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;tetrakis(1-phenylisoquinoline);2-phenylpyridine?
The IUPAC name of 2-(4-fluorobenzene-6-id-1-yl)-4-(trifluoromethyl)pyridine;pentakis(iridium);3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;tetrakis(1-phenylisoquinoline);2-phenylpyridine (CID 158119115) is 2-(4-fluorobenzene-6-id-1-yl)-4-(trifluoromethyl)pyridine;pentakis(iridium);3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;tetrakis(1-phenylisoquinoline);2-phenylpyridine.
What is the SMILES notation for 2-(4-fluorobenzene-6-id-1-yl)-4-(trifluoromethyl)pyridine;pentakis(iridium);3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;tetrakis(1-phenylisoquinoline);2-phenylpyridine?
The canonical SMILES for 2-(4-fluorobenzene-6-id-1-yl)-4-(trifluoromethyl)pyridine;pentakis(iridium);3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;tetrakis(1-phenylisoquinoline);2-phenylpyridine is Cc1ccc(-c2[c-]cccc2)nc1.Cc1cccnc1-c1[c-]cccc1.Cc1ccnc(-c2[c-]cccc2)c1.Fc1c[c-]c(-c2cc(C(F)(F)F)ccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.
What is the InChIKey of 2-(4-fluorobenzene-6-id-1-yl)-4-(trifluoromethyl)pyridine;pentakis(iridium);3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;tetrakis(1-phenylisoquinoline);2-phenylpyridine?
The InChIKey is BZTFNRXUODUIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/4C15H10N.C12H6F4N.3C12H10N.C11H8N.5Ir/c4*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;13-10-3-1-8(2-4-10)11-7-9(5-6-17-11)12(14,15)16;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h4*1-7,9-11H;1,3-7H;2-7,9H,1H3;2*2-5,7-9H,1H3;1-6,8-9H;;;;;/q9*-1;;;;;.
What are the key properties of 2-(4-fluorobenzene-6-id-1-yl)-4-(trifluoromethyl)pyridine;pentakis(iridium);3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;tetrakis(1-phenylisoquinoline);2-phenylpyridine?
2-(4-fluorobenzene-6-id-1-yl)-4-(trifluoromethyl)pyridine;pentakis(iridium);3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;tetrakis(1-phenylisoquinoline);2-phenylpyridine has a molecular weight of 2677.12 g/mol, XLogP of 29.62, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorobenzene-6-id-1-yl)-4-(trifluoromethyl)pyridine;pentakis(iridium);3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;tetrakis(1-phenylisoquinoline);2-phenylpyridine is sourced from PubChem (CID 158119115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).