6-cyclopentyl-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;tetrakis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);2-phenylpyridine

C207H238F12Ir4N8O8Si4-8 — CID 159107853

IUPAC6-cyclopentyl-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;tetrakis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);2-phenylpyridine
SMILESCCC(CC)C(=O)C=C(O)C(CC)CC(F)(F)F.CCC(CC)C(=O)C=C(O)C(CC)CC(F)(F)F.CCC(CC)C(=O)C=C(O)C(CC)CC(F)(F)F.CCC(CC)C(=O)C=C(O)C(CC)CC(F)(F)F.Cc1[c-]c(-c2ccc3ccccc3n2)cc(C)c1.Cc1[c-]c(-c2nccc3cc(C(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc(C4CCCC4)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc([Si](C)(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc([Si](C)(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc([Si](C)(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc([Si](C)(C)c4ccccc4)ccc23)cc(C)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C25H24NSi.C22H22N.3C20H22NSi.C20H20N.C17H14N.4C13H21F3O2.C11H8N.4Ir/c1-18-14-19(2)16-21(15-18)25-24-11-10-23(17-20(24)12-13-26-25)27(3,4)22-8-6-5-7-9-22;1-15-11-16(2)13-20(12-15)22-21-8-7-18(17-5-3-4-6-17)14-19(21)9-10-23-22;3*1-14-10-15(2)12-17(11-14)20-19-7-6-18(22(3,4)5)13-16(19)8-9-21-20;1-13(2)16-5-6-19-17(12-16)7-8-21-20(19)18-10-14(3)9-15(4)11-18;1-12-9-13(2)11-15(10-12)17-8-7-14-5-3-4-6-16(14)18-17;4*1-4-9(5-2)11(17)7-12(18)10(6-3)8-13(14,15)16;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h5-15,17H,1-4H3;7-12,14,17H,3-6H2,1-2H3;3*6-11,13H,1-5H3;5-10,12-13H,1-4H3;3-10H,1-2H3;4*7,9-10,18H,4-6,8H2,1-3H3;1-6,8-9H;;;;/q7*-1;;;;;-1;;;;
InChIKeyHPQZLZHXAHPOJG-UHFFFAOYSA-N
MW4075.42 g/mol
LogP55.66
Rot. Bonds43

About 6-cyclopentyl-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;tetrakis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);2-phenylpyridine

6-cyclopentyl-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;tetrakis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);2-phenylpyridine (PubChem CID 159107853) has the molecular formula C207H238F12Ir4N8O8Si4-8 and a molecular weight of 4075.42 g/mol. Its IUPAC name is 6-cyclopentyl-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;tetrakis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);2-phenylpyridine.

Molecular Properties

Compound Name6-cyclopentyl-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;tetrakis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);2-phenylpyridine
PubChem CID159107853
Molecular FormulaC207H238F12Ir4N8O8Si4-8
Molecular Weight4075.42 g/mol
Exact Mass4075.59
IUPAC Name6-cyclopentyl-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;tetrakis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);2-phenylpyridine
SMILESCCC(CC)C(=O)C=C(O)C(CC)CC(F)(F)F.CCC(CC)C(=O)C=C(O)C(CC)CC(F)(F)F.CCC(CC)C(=O)C=C(O)C(CC)CC(F)(F)F.CCC(CC)C(=O)C=C(O)C(CC)CC(F)(F)F.Cc1[c-]c(-c2ccc3ccccc3n2)cc(C)c1.Cc1[c-]c(-c2nccc3cc(C(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc(C4CCCC4)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc([Si](C)(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc([Si](C)(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc([Si](C)(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc([Si](C)(C)c4ccccc4)ccc23)cc(C)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C25H24NSi.C22H22N.3C20H22NSi.C20H20N.C17H14N.4C13H21F3O2.C11H8N.4Ir/c1-18-14-19(2)16-21(15-18)25-24-11-10-23(17-20(24)12-13-26-25)27(3,4)22-8-6-5-7-9-22;1-15-11-16(2)13-20(12-15)22-21-8-7-18(17-5-3-4-6-17)14-19(21)9-10-23-22;3*1-14-10-15(2)12-17(11-14)20-19-7-6-18(22(3,4)5)13-16(19)8-9-21-20;1-13(2)16-5-6-19-17(12-16)7-8-21-20(19)18-10-14(3)9-15(4)11-18;1-12-9-13(2)11-15(10-12)17-8-7-14-5-3-4-6-16(14)18-17;4*1-4-9(5-2)11(17)7-12(18)10(6-3)8-13(14,15)16;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h5-15,17H,1-4H3;7-12,14,17H,3-6H2,1-2H3;3*6-11,13H,1-5H3;5-10,12-13H,1-4H3;3-10H,1-2H3;4*7,9-10,18H,4-6,8H2,1-3H3;1-6,8-9H;;;;/q7*-1;;;;;-1;;;;
InChIKeyHPQZLZHXAHPOJG-UHFFFAOYSA-N
XLogP55.66
TPSA252.32 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds43
Heavy Atoms243
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004075.42
LogP ≤ 555.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-cyclopentyl-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;tetrakis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);2-phenylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;tetrakis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);2-phenylpyridine?
The IUPAC name of 6-cyclopentyl-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;tetrakis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);2-phenylpyridine (CID 159107853) is 6-cyclopentyl-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;tetrakis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);2-phenylpyridine.
What is the SMILES notation for 6-cyclopentyl-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;tetrakis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);2-phenylpyridine?
The canonical SMILES for 6-cyclopentyl-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;tetrakis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);2-phenylpyridine is CCC(CC)C(=O)C=C(O)C(CC)CC(F)(F)F.CCC(CC)C(=O)C=C(O)C(CC)CC(F)(F)F.CCC(CC)C(=O)C=C(O)C(CC)CC(F)(F)F.CCC(CC)C(=O)C=C(O)C(CC)CC(F)(F)F.Cc1[c-]c(-c2ccc3ccccc3n2)cc(C)c1.Cc1[c-]c(-c2nccc3cc(C(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc(C4CCCC4)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc([Si](C)(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc([Si](C)(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc([Si](C)(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc([Si](C)(C)c4ccccc4)ccc23)cc(C)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 6-cyclopentyl-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;tetrakis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);2-phenylpyridine?
The InChIKey is HPQZLZHXAHPOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24NSi.C22H22N.3C20H22NSi.C20H20N.C17H14N.4C13H21F3O2.C11H8N.4Ir/c1-18-14-19(2)16-21(15-18)25-24-11-10-23(17-20(24)12-13-26-25)27(3,4)22-8-6-5-7-9-22;1-15-11-16(2)13-20(12-15)22-21-8-7-18(17-5-3-4-6-17)14-19(21)9-10-23-22;3*1-14-10-15(2)12-17(11-14)20-19-7-6-18(22(3,4)5)13-16(19)8-9-21-20;1-13(2)16-5-6-19-17(12-16)7-8-21-20(19)18-10-14(3)9-15(4)11-18;1-12-9-13(2)11-15(10-12)17-8-7-14-5-3-4-6-16(14)18-17;4*1-4-9(5-2)11(17)7-12(18)10(6-3)8-13(14,15)16;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h5-15,17H,1-4H3;7-12,14,17H,3-6H2,1-2H3;3*6-11,13H,1-5H3;5-10,12-13H,1-4H3;3-10H,1-2H3;4*7,9-10,18H,4-6,8H2,1-3H3;1-6,8-9H;;;;/q7*-1;;;;;-1;;;;.
What are the key properties of 6-cyclopentyl-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;tetrakis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);2-phenylpyridine?
6-cyclopentyl-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;tetrakis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);2-phenylpyridine has a molecular weight of 4075.42 g/mol, XLogP of 55.66, 43 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;tetrakis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);2-phenylpyridine is sourced from PubChem (CID 159107853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).