[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-3-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-7-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinolin-3-yl]-trimethylsilane;tetrakis(5-hydroxy-2,6-dimethylhept-4-en-3-one);tetrakis(iridium)

C140H168Ir4N4O8Si4-4 — CID 159561420

IUPAC[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-3-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-7-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinolin-3-yl]-trimethylsilane;tetrakis(5-hydroxy-2,6-dimethylhept-4-en-3-one);tetrakis(iridium)
SMILESCC(C)C(=O)C=C(O)C(C)C.CC(C)C(=O)C=C(O)C(C)C.CC(C)C(=O)C=C(O)C(C)C.CC(C)C(=O)C=C(O)C(C)C.Cc1[c-]c(-c2cc([Si](C)(C)C)c3c(-c4ccccc4)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(-c4ccccc4)cc([Si](C)(C)C)cc3n2)cc(C)c1.Cc1[c-]c(-c2nc3ccc(-c4ccccc4)cc3cc2[Si](C)(C)C)cc(C)c1.Cc1[c-]c(-c2nc3cccc(-c4ccccc4)c3cc2[Si](C)(C)C)cc(C)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/4C26H26NSi.4C9H16O2.4Ir/c1-18-14-19(2)16-21(15-18)26-25(28(3,4)5)17-23-22(12-9-13-24(23)27-26)20-10-7-6-8-11-20;1-18-14-19(2)16-21(15-18)24-17-25(28(3,4)5)26-22(12-9-13-23(26)27-24)20-10-7-6-8-11-20;1-18-13-19(2)15-21(14-18)25-12-11-23-24(20-9-7-6-8-10-20)16-22(28(3,4)5)17-26(23)27-25;1-18-13-19(2)15-23(14-18)26-25(28(3,4)5)17-22-16-21(11-12-24(22)27-26)20-9-7-6-8-10-20;4*1-6(2)8(10)5-9(11)7(3)4;;;;/h2*6-15,17H,1-5H3;2*6-14,16-17H,1-5H3;4*5-7,10H,1-4H3;;;;/q4*-1;;;;;;;;
InChIKeyWZFZKEKGNXTMFA-UHFFFAOYSA-N
MW2916.12 g/mol
LogP35.35
Rot. Bonds24

About [2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-3-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-7-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinolin-3-yl]-trimethylsilane;tetrakis(5-hydroxy-2,6-dimethylhept-4-en-3-one);tetrakis(iridium)

[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-3-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-7-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinolin-3-yl]-trimethylsilane;tetrakis(5-hydroxy-2,6-dimethylhept-4-en-3-one);tetrakis(iridium) (PubChem CID 159561420) has the molecular formula C140H168Ir4N4O8Si4-4 and a molecular weight of 2916.12 g/mol. Its IUPAC name is [2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-3-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-7-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinolin-3-yl]-trimethylsilane;tetrakis(5-hydroxy-2,6-dimethylhept-4-en-3-one);tetrakis(iridium).

Molecular Properties

Compound Name[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-3-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-7-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinolin-3-yl]-trimethylsilane;tetrakis(5-hydroxy-2,6-dimethylhept-4-en-3-one);tetrakis(iridium)
PubChem CID159561420
Molecular FormulaC140H168Ir4N4O8Si4-4
Molecular Weight2916.12 g/mol
Exact Mass2917.05
IUPAC Name[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-3-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-7-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinolin-3-yl]-trimethylsilane;tetrakis(5-hydroxy-2,6-dimethylhept-4-en-3-one);tetrakis(iridium)
SMILESCC(C)C(=O)C=C(O)C(C)C.CC(C)C(=O)C=C(O)C(C)C.CC(C)C(=O)C=C(O)C(C)C.CC(C)C(=O)C=C(O)C(C)C.Cc1[c-]c(-c2cc([Si](C)(C)C)c3c(-c4ccccc4)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(-c4ccccc4)cc([Si](C)(C)C)cc3n2)cc(C)c1.Cc1[c-]c(-c2nc3ccc(-c4ccccc4)cc3cc2[Si](C)(C)C)cc(C)c1.Cc1[c-]c(-c2nc3cccc(-c4ccccc4)c3cc2[Si](C)(C)C)cc(C)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/4C26H26NSi.4C9H16O2.4Ir/c1-18-14-19(2)16-21(15-18)26-25(28(3,4)5)17-23-22(12-9-13-24(23)27-26)20-10-7-6-8-11-20;1-18-14-19(2)16-21(15-18)24-17-25(28(3,4)5)26-22(12-9-13-23(26)27-24)20-10-7-6-8-11-20;1-18-13-19(2)15-21(14-18)25-12-11-23-24(20-9-7-6-8-10-20)16-22(28(3,4)5)17-26(23)27-25;1-18-13-19(2)15-23(14-18)26-25(28(3,4)5)17-22-16-21(11-12-24(22)27-26)20-9-7-6-8-10-20;4*1-6(2)8(10)5-9(11)7(3)4;;;;/h2*6-15,17H,1-5H3;2*6-14,16-17H,1-5H3;4*5-7,10H,1-4H3;;;;/q4*-1;;;;;;;;
InChIKeyWZFZKEKGNXTMFA-UHFFFAOYSA-N
XLogP35.35
TPSA200.76 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002916.12
LogP ≤ 535.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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 [2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-3-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-7-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinolin-3-yl]-trimethylsilane;tetrakis(5-hydroxy-2,6-dimethylhept-4-en-3-one);tetrakis(iridium) with MolForge

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Related Compounds

[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-4-yl]-trimethylsilane;(Z)-5-hydroxy-2,6-dimethylhept-4-en-3-one;iridium
CID 156675556
[2-(3,5-dimethylbenzene-6-id-1-yl)-7-phenylquinolin-6-yl]-trimethylsilane;(Z)-5-hydroxy-2,6-dimethylhept-4-en-3-one;iridium
CID 156675508
[2-(3,5-dimethylbenzene-6-id-1-yl)-4-phenylquinolin-6-yl]-trimethylgermane;(Z)-5-hydroxy-2,6-dimethylhept-4-en-3-one;iridium
CID 156675781
[2-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-7-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-3-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-3-phenylquinolin-5-yl]-trimethylsilane;bis(5-hydroxy-2,6-dimethylhept-4-en-3-one);bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);trimethyl-[7-phenyl-2-(4-propan-2-ylbenzene-6-id-1-yl)quinolin-5-yl]silane
CID 161256972
[2-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-5-phenylquinolin-6-yl]-trimethylsilane;(Z)-5-hydroxy-2,6-dimethylhept-4-en-3-one;iridium
CID 156675901
[2-(3,5-dimethylbenzene-6-id-1-yl)-4-phenylquinolin-6-yl]-trimethylsilane;iridium;(Z)-3,5,7-trideuterio-3,7-diethyl-6-hydroxynon-5-en-4-one
CID 156675858
2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-fluorophenyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinoline;4-(4-fluorophenyl)-2-(3-phenylbenzene-6-id-1-yl)quinoline;5-(4-fluorophenyl)-2-phenylquinoline;tetrakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(iridium)
CID 160744997
[2-(3-tert-butylbenzene-6-id-1-yl)-3-phenylquinolin-4-yl]-trimethylsilane;[2-(3-tert-butylbenzene-6-id-1-yl)-5-phenylquinolin-3-yl]-trimethylsilane;[2-(4-tert-butylbenzene-6-id-1-yl)-4-phenylquinolin-5-yl]-trimethylsilane;[2-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-3-phenylquinolin-5-yl]-trimethylsilane;[2-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-4-phenylquinolin-7-yl]-trimethylsilane;octakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);octakis(iridium);trimethyl-[2-(3-methyl-5-phenylbenzene-2-id-1-yl)-3-phenylquinolin-7-yl]silane;trimethyl-[4-phenyl-2-(3-phenylbenzene-6-id-1-yl)quinolin-3-yl]silane;trimethyl-[5-phenyl-2-(3-phenylbenzene-6-id-1-yl)quinolin-4-yl]silane
CID 158021819
[2-(3,5-dimethylbenzene-6-id-1-yl)-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]quinolin-6-yl]-trimethylsilane;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium
CID 156675506
2-(3,5-dimethylbenzene-6-id-1-yl)-4-phenylquinoline;(Z)-6-hydroxy-2,8-dimethylnon-5-en-4-one;iridium
CID 155627665
[2,6-dimethyl-4-(4-phenyl-6-trimethylsilylquinolin-2-yl)benzene-5-id-1-yl]-trimethylsilane;(Z)-5-hydroxy-2,2,6-trimethylhept-4-en-3-one;iridium
CID 156675577
3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;tris([2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-6-yl]-trimethylsilane);6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;5-hydroxy-2,2,6-trimethylhept-4-en-3-one;tris(iridium)
CID 158724797

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-3-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-7-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinolin-3-yl]-trimethylsilane;tetrakis(5-hydroxy-2,6-dimethylhept-4-en-3-one);tetrakis(iridium)?
The IUPAC name of [2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-3-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-7-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinolin-3-yl]-trimethylsilane;tetrakis(5-hydroxy-2,6-dimethylhept-4-en-3-one);tetrakis(iridium) (CID 159561420) is [2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-3-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-7-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinolin-3-yl]-trimethylsilane;tetrakis(5-hydroxy-2,6-dimethylhept-4-en-3-one);tetrakis(iridium).
What is the SMILES notation for [2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-3-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-7-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinolin-3-yl]-trimethylsilane;tetrakis(5-hydroxy-2,6-dimethylhept-4-en-3-one);tetrakis(iridium)?
The canonical SMILES for [2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-3-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-7-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinolin-3-yl]-trimethylsilane;tetrakis(5-hydroxy-2,6-dimethylhept-4-en-3-one);tetrakis(iridium) is CC(C)C(=O)C=C(O)C(C)C.CC(C)C(=O)C=C(O)C(C)C.CC(C)C(=O)C=C(O)C(C)C.CC(C)C(=O)C=C(O)C(C)C.Cc1[c-]c(-c2cc([Si](C)(C)C)c3c(-c4ccccc4)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(-c4ccccc4)cc([Si](C)(C)C)cc3n2)cc(C)c1.Cc1[c-]c(-c2nc3ccc(-c4ccccc4)cc3cc2[Si](C)(C)C)cc(C)c1.Cc1[c-]c(-c2nc3cccc(-c4ccccc4)c3cc2[Si](C)(C)C)cc(C)c1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of [2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-3-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-7-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinolin-3-yl]-trimethylsilane;tetrakis(5-hydroxy-2,6-dimethylhept-4-en-3-one);tetrakis(iridium)?
The InChIKey is WZFZKEKGNXTMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C26H26NSi.4C9H16O2.4Ir/c1-18-14-19(2)16-21(15-18)26-25(28(3,4)5)17-23-22(12-9-13-24(23)27-26)20-10-7-6-8-11-20;1-18-14-19(2)16-21(15-18)24-17-25(28(3,4)5)26-22(12-9-13-23(26)27-24)20-10-7-6-8-11-20;1-18-13-19(2)15-21(14-18)25-12-11-23-24(20-9-7-6-8-10-20)16-22(28(3,4)5)17-26(23)27-25;1-18-13-19(2)15-23(14-18)26-25(28(3,4)5)17-22-16-21(11-12-24(22)27-26)20-9-7-6-8-10-20;4*1-6(2)8(10)5-9(11)7(3)4;;;;/h2*6-15,17H,1-5H3;2*6-14,16-17H,1-5H3;4*5-7,10H,1-4H3;;;;/q4*-1;;;;;;;;.
What are the key properties of [2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-3-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-7-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinolin-3-yl]-trimethylsilane;tetrakis(5-hydroxy-2,6-dimethylhept-4-en-3-one);tetrakis(iridium)?
[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-3-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-7-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinolin-3-yl]-trimethylsilane;tetrakis(5-hydroxy-2,6-dimethylhept-4-en-3-one);tetrakis(iridium) has a molecular weight of 2916.12 g/mol, XLogP of 35.35, 24 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-3-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-4-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-5-phenylquinolin-7-yl]-trimethylsilane;[2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinolin-3-yl]-trimethylsilane;tetrakis(5-hydroxy-2,6-dimethylhept-4-en-3-one);tetrakis(iridium) is sourced from PubChem (CID 159561420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).