tetrakis(iridium);4-methyl-2-phenyl-5-propan-2-ylpyridine;bis(4-methyl-2-phenylpyridine);9-(4-methyl-6-phenyl-3-pyridinyl)carbazole;2-phenyl-4-propan-2-ylpyridine;tris(9-(6-phenyl-3-pyridinyl)carbazole)

C146H112Ir4N12-8 — CID 157069752

IUPACtetrakis(iridium);4-methyl-2-phenyl-5-propan-2-ylpyridine;bis(4-methyl-2-phenylpyridine);9-(4-methyl-6-phenyl-3-pyridinyl)carbazole;2-phenyl-4-propan-2-ylpyridine;tris(9-(6-phenyl-3-pyridinyl)carbazole)
SMILESCC(C)c1ccnc(-c2[c-]cccc2)c1.Cc1cc(-c2[c-]cccc2)ncc1-n1c2ccccc2c2ccccc21.Cc1cc(-c2[c-]cccc2)ncc1C(C)C.Cc1ccnc(-c2[c-]cccc2)c1.Cc1ccnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc(-n2c3ccccc3c3ccccc32)cn1.[c-]1ccccc1-c1ccc(-n2c3ccccc3c3ccccc32)cn1.[c-]1ccccc1-c1ccc(-n2c3ccccc3c3ccccc32)cn1
InChIInChI=1S/C24H17N2.3C23H15N2.C15H16N.C14H14N.2C12H10N.4Ir/c1-17-15-21(18-9-3-2-4-10-18)25-16-24(17)26-22-13-7-5-11-19(22)20-12-6-8-14-23(20)26;3*1-2-8-17(9-3-1)21-15-14-18(16-24-21)25-22-12-6-4-10-19(22)20-11-5-7-13-23(20)25;1-11(2)14-10-16-15(9-12(14)3)13-7-5-4-6-8-13;1-11(2)13-8-9-15-14(10-13)12-6-4-3-5-7-12;2*1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;;;;/h2-9,11-16H,1H3;3*1-8,10-16H;4-7,9-11H,1-3H3;3-6,8-11H,1-2H3;2*2-5,7-9H,1H3;;;;/q8*-1;;;;
InChIKeySJRNJCIYPMKDOZ-UHFFFAOYSA-N
MW2803.45 g/mol
LogP36.25
Rot. Bonds14

About tetrakis(iridium);4-methyl-2-phenyl-5-propan-2-ylpyridine;bis(4-methyl-2-phenylpyridine);9-(4-methyl-6-phenyl-3-pyridinyl)carbazole;2-phenyl-4-propan-2-ylpyridine;tris(9-(6-phenyl-3-pyridinyl)carbazole)

tetrakis(iridium);4-methyl-2-phenyl-5-propan-2-ylpyridine;bis(4-methyl-2-phenylpyridine);9-(4-methyl-6-phenyl-3-pyridinyl)carbazole;2-phenyl-4-propan-2-ylpyridine;tris(9-(6-phenyl-3-pyridinyl)carbazole) (PubChem CID 157069752) has the molecular formula C146H112Ir4N12-8 and a molecular weight of 2803.45 g/mol. Its IUPAC name is tetrakis(iridium);4-methyl-2-phenyl-5-propan-2-ylpyridine;bis(4-methyl-2-phenylpyridine);9-(4-methyl-6-phenyl-3-pyridinyl)carbazole;2-phenyl-4-propan-2-ylpyridine;tris(9-(6-phenyl-3-pyridinyl)carbazole).

Molecular Properties

Compound Nametetrakis(iridium);4-methyl-2-phenyl-5-propan-2-ylpyridine;bis(4-methyl-2-phenylpyridine);9-(4-methyl-6-phenyl-3-pyridinyl)carbazole;2-phenyl-4-propan-2-ylpyridine;tris(9-(6-phenyl-3-pyridinyl)carbazole)
PubChem CID157069752
Molecular FormulaC146H112Ir4N12-8
Molecular Weight2803.45 g/mol
Exact Mass2804.77
IUPAC Nametetrakis(iridium);4-methyl-2-phenyl-5-propan-2-ylpyridine;bis(4-methyl-2-phenylpyridine);9-(4-methyl-6-phenyl-3-pyridinyl)carbazole;2-phenyl-4-propan-2-ylpyridine;tris(9-(6-phenyl-3-pyridinyl)carbazole)
SMILESCC(C)c1ccnc(-c2[c-]cccc2)c1.Cc1cc(-c2[c-]cccc2)ncc1-n1c2ccccc2c2ccccc21.Cc1cc(-c2[c-]cccc2)ncc1C(C)C.Cc1ccnc(-c2[c-]cccc2)c1.Cc1ccnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc(-n2c3ccccc3c3ccccc32)cn1.[c-]1ccccc1-c1ccc(-n2c3ccccc3c3ccccc32)cn1.[c-]1ccccc1-c1ccc(-n2c3ccccc3c3ccccc32)cn1
InChIInChI=1S/C24H17N2.3C23H15N2.C15H16N.C14H14N.2C12H10N.4Ir/c1-17-15-21(18-9-3-2-4-10-18)25-16-24(17)26-22-13-7-5-11-19(22)20-12-6-8-14-23(20)26;3*1-2-8-17(9-3-1)21-15-14-18(16-24-21)25-22-12-6-4-10-19(22)20-11-5-7-13-23(20)25;1-11(2)14-10-16-15(9-12(14)3)13-7-5-4-6-8-13;1-11(2)13-8-9-15-14(10-13)12-6-4-3-5-7-12;2*1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;;;;/h2-9,11-16H,1H3;3*1-8,10-16H;4-7,9-11H,1-3H3;3-6,8-11H,1-2H3;2*2-5,7-9H,1H3;;;;/q8*-1;;;;
InChIKeySJRNJCIYPMKDOZ-UHFFFAOYSA-N
XLogP36.25
TPSA122.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002803.45
LogP ≤ 536.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze tetrakis(iridium);4-methyl-2-phenyl-5-propan-2-ylpyridine;bis(4-methyl-2-phenylpyridine);9-(4-methyl-6-phenyl-3-pyridinyl)carbazole;2-phenyl-4-propan-2-ylpyridine;tris(9-(6-phenyl-3-pyridinyl)carbazole) with MolForge

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Related Compounds

9-[9-(beta-Carboline-9-yl)nonyl]-beta-carboline
CID 46223113
9-[5-(beta-Carboline-9-yl)pentyl]-beta-carboline
CID 46223112
2-Methyl-9-[9-(2-methylpyrido[3,4-b]indol-2-ium-9-yl)nonyl]pyrido[3,4-b]indol-2-ium diiodide
CID 46223338
2-Methyl-9-[9-(2-methyl-beta-carboline-9-yl)nonyl]-beta-carboline-2-ium diiodide
CID 46223339
2-Methyl-9-[12-(2-methylpyrido[3,4-b]indol-2-ium-9-yl)dodecyl]pyrido[3,4-b]indol-2-ium diiodide
CID 46223340
1-Methyl-9-[4-(1-methylpyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole
CID 71539280
1-Methyl-9-[10-(1-methylpyrido[3,4-b]indol-9-yl)decyl]pyrido[3,4-b]indole
CID 71539326
1-Propan-2-yl-9-[10-(1-propan-2-ylpyrido[3,4-b]indol-9-yl)decyl]pyrido[3,4-b]indole
CID 71539686
1-Pyridin-3-yl-9-[6-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole
CID 71539945
9-[[1-[[4-[4-[[4-(Carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]triazol-4-yl]methyl]carbazole
CID 155544405
N,N'-bis[[9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]methyl]butane-1,4-diamine;hydrochloride
CID 134132233
N,N'-bis[(9-benzylpyrido[3,4-b]indol-3-yl)methyl]hexane-1,6-diamine;hydrochloride
CID 134140956

Frequently Asked Questions

What is the IUPAC name of tetrakis(iridium);4-methyl-2-phenyl-5-propan-2-ylpyridine;bis(4-methyl-2-phenylpyridine);9-(4-methyl-6-phenyl-3-pyridinyl)carbazole;2-phenyl-4-propan-2-ylpyridine;tris(9-(6-phenyl-3-pyridinyl)carbazole)?
The IUPAC name of tetrakis(iridium);4-methyl-2-phenyl-5-propan-2-ylpyridine;bis(4-methyl-2-phenylpyridine);9-(4-methyl-6-phenyl-3-pyridinyl)carbazole;2-phenyl-4-propan-2-ylpyridine;tris(9-(6-phenyl-3-pyridinyl)carbazole) (CID 157069752) is tetrakis(iridium);4-methyl-2-phenyl-5-propan-2-ylpyridine;bis(4-methyl-2-phenylpyridine);9-(4-methyl-6-phenyl-3-pyridinyl)carbazole;2-phenyl-4-propan-2-ylpyridine;tris(9-(6-phenyl-3-pyridinyl)carbazole).
What is the SMILES notation for tetrakis(iridium);4-methyl-2-phenyl-5-propan-2-ylpyridine;bis(4-methyl-2-phenylpyridine);9-(4-methyl-6-phenyl-3-pyridinyl)carbazole;2-phenyl-4-propan-2-ylpyridine;tris(9-(6-phenyl-3-pyridinyl)carbazole)?
The canonical SMILES for tetrakis(iridium);4-methyl-2-phenyl-5-propan-2-ylpyridine;bis(4-methyl-2-phenylpyridine);9-(4-methyl-6-phenyl-3-pyridinyl)carbazole;2-phenyl-4-propan-2-ylpyridine;tris(9-(6-phenyl-3-pyridinyl)carbazole) is CC(C)c1ccnc(-c2[c-]cccc2)c1.Cc1cc(-c2[c-]cccc2)ncc1-n1c2ccccc2c2ccccc21.Cc1cc(-c2[c-]cccc2)ncc1C(C)C.Cc1ccnc(-c2[c-]cccc2)c1.Cc1ccnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc(-n2c3ccccc3c3ccccc32)cn1.[c-]1ccccc1-c1ccc(-n2c3ccccc3c3ccccc32)cn1.[c-]1ccccc1-c1ccc(-n2c3ccccc3c3ccccc32)cn1.
What is the InChIKey of tetrakis(iridium);4-methyl-2-phenyl-5-propan-2-ylpyridine;bis(4-methyl-2-phenylpyridine);9-(4-methyl-6-phenyl-3-pyridinyl)carbazole;2-phenyl-4-propan-2-ylpyridine;tris(9-(6-phenyl-3-pyridinyl)carbazole)?
The InChIKey is SJRNJCIYPMKDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N2.3C23H15N2.C15H16N.C14H14N.2C12H10N.4Ir/c1-17-15-21(18-9-3-2-4-10-18)25-16-24(17)26-22-13-7-5-11-19(22)20-12-6-8-14-23(20)26;3*1-2-8-17(9-3-1)21-15-14-18(16-24-21)25-22-12-6-4-10-19(22)20-11-5-7-13-23(20)25;1-11(2)14-10-16-15(9-12(14)3)13-7-5-4-6-8-13;1-11(2)13-8-9-15-14(10-13)12-6-4-3-5-7-12;2*1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;;;;/h2-9,11-16H,1H3;3*1-8,10-16H;4-7,9-11H,1-3H3;3-6,8-11H,1-2H3;2*2-5,7-9H,1H3;;;;/q8*-1;;;;.
What are the key properties of tetrakis(iridium);4-methyl-2-phenyl-5-propan-2-ylpyridine;bis(4-methyl-2-phenylpyridine);9-(4-methyl-6-phenyl-3-pyridinyl)carbazole;2-phenyl-4-propan-2-ylpyridine;tris(9-(6-phenyl-3-pyridinyl)carbazole)?
tetrakis(iridium);4-methyl-2-phenyl-5-propan-2-ylpyridine;bis(4-methyl-2-phenylpyridine);9-(4-methyl-6-phenyl-3-pyridinyl)carbazole;2-phenyl-4-propan-2-ylpyridine;tris(9-(6-phenyl-3-pyridinyl)carbazole) has a molecular weight of 2803.45 g/mol, XLogP of 36.25, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(iridium);4-methyl-2-phenyl-5-propan-2-ylpyridine;bis(4-methyl-2-phenylpyridine);9-(4-methyl-6-phenyl-3-pyridinyl)carbazole;2-phenyl-4-propan-2-ylpyridine;tris(9-(6-phenyl-3-pyridinyl)carbazole) is sourced from PubChem (CID 157069752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).