tris(4-tert-butyl-6-phenylpyrimidine);4,5-dimethyl-2-phenylpyridine;pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;bis(4-phenyl-2-phenylpyridine);bis(6-phenyl-4-phenylpyrimidine);2-phenylpyridine

C150H125Ir5N15-10 — CID 159940932

IUPACtris(4-tert-butyl-6-phenylpyrimidine);4,5-dimethyl-2-phenylpyridine;pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;bis(4-phenyl-2-phenylpyridine);bis(6-phenyl-4-phenylpyrimidine);2-phenylpyridine
SMILESCC(C)(C)c1cc(-c2[c-]cccc2)ncn1.CC(C)(C)c1cc(-c2[c-]cccc2)ncn1.CC(C)(C)c1cc(-c2[c-]cccc2)ncn1.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1cnc(-c2[c-]cccc2)cc1C.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1cc(-c2ccccc2)ncn1.[c-]1ccccc1-c1cc(-c2ccccc2)ncn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C18H14N.2C17H12N.2C16H11N2.3C14H15N2.C13H12N.C11H8N.5Ir/c1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;2*1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;2*1-3-7-13(8-4-1)15-11-16(18-12-17-15)14-9-5-2-6-10-14;3*1-14(2,3)13-9-12(15-10-16-13)11-7-5-4-6-8-11;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h2-10,12-13H,1H3;2*1-9,11-13H;2*1-9,11-12H;3*4-7,9-10H,1-3H3;3-6,8-9H,1-2H3;1-6,8-9H;;;;;/q10*-1;;;;;
InChIKeyZMPSUHULYQRACJ-UHFFFAOYSA-N
MW3098.84 g/mol
LogP35.60
Rot. Bonds15

About tris(4-tert-butyl-6-phenylpyrimidine);4,5-dimethyl-2-phenylpyridine;pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;bis(4-phenyl-2-phenylpyridine);bis(6-phenyl-4-phenylpyrimidine);2-phenylpyridine

tris(4-tert-butyl-6-phenylpyrimidine);4,5-dimethyl-2-phenylpyridine;pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;bis(4-phenyl-2-phenylpyridine);bis(6-phenyl-4-phenylpyrimidine);2-phenylpyridine (PubChem CID 159940932) has the molecular formula C150H125Ir5N15-10 and a molecular weight of 3098.84 g/mol. Its IUPAC name is tris(4-tert-butyl-6-phenylpyrimidine);4,5-dimethyl-2-phenylpyridine;pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;bis(4-phenyl-2-phenylpyridine);bis(6-phenyl-4-phenylpyrimidine);2-phenylpyridine.

Molecular Properties

Compound Nametris(4-tert-butyl-6-phenylpyrimidine);4,5-dimethyl-2-phenylpyridine;pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;bis(4-phenyl-2-phenylpyridine);bis(6-phenyl-4-phenylpyrimidine);2-phenylpyridine
PubChem CID159940932
Molecular FormulaC150H125Ir5N15-10
Molecular Weight3098.84 g/mol
Exact Mass3100.84
IUPAC Nametris(4-tert-butyl-6-phenylpyrimidine);4,5-dimethyl-2-phenylpyridine;pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;bis(4-phenyl-2-phenylpyridine);bis(6-phenyl-4-phenylpyrimidine);2-phenylpyridine
SMILESCC(C)(C)c1cc(-c2[c-]cccc2)ncn1.CC(C)(C)c1cc(-c2[c-]cccc2)ncn1.CC(C)(C)c1cc(-c2[c-]cccc2)ncn1.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1cnc(-c2[c-]cccc2)cc1C.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1cc(-c2ccccc2)ncn1.[c-]1ccccc1-c1cc(-c2ccccc2)ncn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C18H14N.2C17H12N.2C16H11N2.3C14H15N2.C13H12N.C11H8N.5Ir/c1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;2*1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;2*1-3-7-13(8-4-1)15-11-16(18-12-17-15)14-9-5-2-6-10-14;3*1-14(2,3)13-9-12(15-10-16-13)11-7-5-4-6-8-11;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h2-10,12-13H,1H3;2*1-9,11-13H;2*1-9,11-12H;3*4-7,9-10H,1-3H3;3-6,8-9H,1-2H3;1-6,8-9H;;;;;/q10*-1;;;;;
InChIKeyZMPSUHULYQRACJ-UHFFFAOYSA-N
XLogP35.60
TPSA193.35 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003098.84
LogP ≤ 535.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze tris(4-tert-butyl-6-phenylpyrimidine);4,5-dimethyl-2-phenylpyridine;pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;bis(4-phenyl-2-phenylpyridine);bis(6-phenyl-4-phenylpyrimidine);2-phenylpyridine with MolForge

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Related Compounds

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CID 166502440
bis(5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);4-(1-methylcyclopropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)
CID 161189709
iridium;2-(3-isocyanobenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;2-phenylpyridine
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CID 158941518
pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;4-(2,3,4,5,6-pentadeuteriophenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);tris(2-phenylpyridine)
CID 159371989
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CID 160687812
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CID 168822016

Frequently Asked Questions

What is the IUPAC name of tris(4-tert-butyl-6-phenylpyrimidine);4,5-dimethyl-2-phenylpyridine;pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;bis(4-phenyl-2-phenylpyridine);bis(6-phenyl-4-phenylpyrimidine);2-phenylpyridine?
The IUPAC name of tris(4-tert-butyl-6-phenylpyrimidine);4,5-dimethyl-2-phenylpyridine;pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;bis(4-phenyl-2-phenylpyridine);bis(6-phenyl-4-phenylpyrimidine);2-phenylpyridine (CID 159940932) is tris(4-tert-butyl-6-phenylpyrimidine);4,5-dimethyl-2-phenylpyridine;pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;bis(4-phenyl-2-phenylpyridine);bis(6-phenyl-4-phenylpyrimidine);2-phenylpyridine.
What is the SMILES notation for tris(4-tert-butyl-6-phenylpyrimidine);4,5-dimethyl-2-phenylpyridine;pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;bis(4-phenyl-2-phenylpyridine);bis(6-phenyl-4-phenylpyrimidine);2-phenylpyridine?
The canonical SMILES for tris(4-tert-butyl-6-phenylpyrimidine);4,5-dimethyl-2-phenylpyridine;pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;bis(4-phenyl-2-phenylpyridine);bis(6-phenyl-4-phenylpyrimidine);2-phenylpyridine is CC(C)(C)c1cc(-c2[c-]cccc2)ncn1.CC(C)(C)c1cc(-c2[c-]cccc2)ncn1.CC(C)(C)c1cc(-c2[c-]cccc2)ncn1.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1cnc(-c2[c-]cccc2)cc1C.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1cc(-c2ccccc2)ncn1.[c-]1ccccc1-c1cc(-c2ccccc2)ncn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of tris(4-tert-butyl-6-phenylpyrimidine);4,5-dimethyl-2-phenylpyridine;pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;bis(4-phenyl-2-phenylpyridine);bis(6-phenyl-4-phenylpyrimidine);2-phenylpyridine?
The InChIKey is ZMPSUHULYQRACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N.2C17H12N.2C16H11N2.3C14H15N2.C13H12N.C11H8N.5Ir/c1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;2*1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;2*1-3-7-13(8-4-1)15-11-16(18-12-17-15)14-9-5-2-6-10-14;3*1-14(2,3)13-9-12(15-10-16-13)11-7-5-4-6-8-11;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h2-10,12-13H,1H3;2*1-9,11-13H;2*1-9,11-12H;3*4-7,9-10H,1-3H3;3-6,8-9H,1-2H3;1-6,8-9H;;;;;/q10*-1;;;;;.
What are the key properties of tris(4-tert-butyl-6-phenylpyrimidine);4,5-dimethyl-2-phenylpyridine;pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;bis(4-phenyl-2-phenylpyridine);bis(6-phenyl-4-phenylpyrimidine);2-phenylpyridine?
tris(4-tert-butyl-6-phenylpyrimidine);4,5-dimethyl-2-phenylpyridine;pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;bis(4-phenyl-2-phenylpyridine);bis(6-phenyl-4-phenylpyrimidine);2-phenylpyridine has a molecular weight of 3098.84 g/mol, XLogP of 35.60, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-tert-butyl-6-phenylpyrimidine);4,5-dimethyl-2-phenylpyridine;pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;bis(4-phenyl-2-phenylpyridine);bis(6-phenyl-4-phenylpyrimidine);2-phenylpyridine is sourced from PubChem (CID 159940932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).