2-(3,5-dimethylbenzene-6-id-1-yl)-5,6-bis(2-methylpropyl)quinoline;tris(2-(3,5-dimethylbenzene-6-id-1-yl)-5,6-di(propan-2-yl)quinoline);bis(2,6-dimethylhept-3-ene-3,5-diol);2,8-dimethylnon-4-ene-4,6-diol;tetrakis(iridium);pent-2-ene-2,4-diol

C128H176Ir4N4O8-4 — CID 162285853

IUPAC2-(3,5-dimethylbenzene-6-id-1-yl)-5,6-bis(2-methylpropyl)quinoline;tris(2-(3,5-dimethylbenzene-6-id-1-yl)-5,6-di(propan-2-yl)quinoline);bis(2,6-dimethylhept-3-ene-3,5-diol);2,8-dimethylnon-4-ene-4,6-diol;tetrakis(iridium);pent-2-ene-2,4-diol
SMILESCC(C)C(O)=CC(O)C(C)C.CC(C)C(O)=CC(O)C(C)C.CC(C)CC(O)=CC(O)CC(C)C.CC(O)=CC(C)O.Cc1[c-]c(-c2ccc3c(C(C)C)c(C(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(C(C)C)c(C(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(C(C)C)c(C(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(CC(C)C)c(CC(C)C)ccc3n2)cc(C)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C25H30N.3C23H26N.C11H22O2.2C9H18O2.C5H10O2.4Ir/c1-16(2)11-20-7-9-25-22(23(20)12-17(3)4)8-10-24(26-25)21-14-18(5)13-19(6)15-21;3*1-14(2)19-7-10-22-20(23(19)15(3)4)8-9-21(24-22)18-12-16(5)11-17(6)13-18;1-8(2)5-10(12)7-11(13)6-9(3)4;2*1-6(2)8(10)5-9(11)7(3)4;1-4(6)3-5(2)7;;;;/h7-10,13-14,16-17H,11-12H2,1-6H3;3*7-12,14-15H,1-6H3;7-10,12-13H,5-6H2,1-4H3;2*5-8,10-11H,1-4H3;3-4,6-7H,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyQIXPSYUNBSMWQJ-UHFFFAOYSA-N
MW2667.70 g/mol
LogP34.32
Rot. Bonds26

About 2-(3,5-dimethylbenzene-6-id-1-yl)-5,6-bis(2-methylpropyl)quinoline;tris(2-(3,5-dimethylbenzene-6-id-1-yl)-5,6-di(propan-2-yl)quinoline);bis(2,6-dimethylhept-3-ene-3,5-diol);2,8-dimethylnon-4-ene-4,6-diol;tetrakis(iridium);pent-2-ene-2,4-diol

2-(3,5-dimethylbenzene-6-id-1-yl)-5,6-bis(2-methylpropyl)quinoline;tris(2-(3,5-dimethylbenzene-6-id-1-yl)-5,6-di(propan-2-yl)quinoline);bis(2,6-dimethylhept-3-ene-3,5-diol);2,8-dimethylnon-4-ene-4,6-diol;tetrakis(iridium);pent-2-ene-2,4-diol (PubChem CID 162285853) has the molecular formula C128H176Ir4N4O8-4 and a molecular weight of 2667.70 g/mol. Its IUPAC name is 2-(3,5-dimethylbenzene-6-id-1-yl)-5,6-bis(2-methylpropyl)quinoline;tris(2-(3,5-dimethylbenzene-6-id-1-yl)-5,6-di(propan-2-yl)quinoline);bis(2,6-dimethylhept-3-ene-3,5-diol);2,8-dimethylnon-4-ene-4,6-diol;tetrakis(iridium);pent-2-ene-2,4-diol.

Molecular Properties

Compound Name2-(3,5-dimethylbenzene-6-id-1-yl)-5,6-bis(2-methylpropyl)quinoline;tris(2-(3,5-dimethylbenzene-6-id-1-yl)-5,6-di(propan-2-yl)quinoline);bis(2,6-dimethylhept-3-ene-3,5-diol);2,8-dimethylnon-4-ene-4,6-diol;tetrakis(iridium);pent-2-ene-2,4-diol
PubChem CID162285853
Molecular FormulaC128H176Ir4N4O8-4
Molecular Weight2667.70 g/mol
Exact Mass2669.20
IUPAC Name2-(3,5-dimethylbenzene-6-id-1-yl)-5,6-bis(2-methylpropyl)quinoline;tris(2-(3,5-dimethylbenzene-6-id-1-yl)-5,6-di(propan-2-yl)quinoline);bis(2,6-dimethylhept-3-ene-3,5-diol);2,8-dimethylnon-4-ene-4,6-diol;tetrakis(iridium);pent-2-ene-2,4-diol
SMILESCC(C)C(O)=CC(O)C(C)C.CC(C)C(O)=CC(O)C(C)C.CC(C)CC(O)=CC(O)CC(C)C.CC(O)=CC(C)O.Cc1[c-]c(-c2ccc3c(C(C)C)c(C(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(C(C)C)c(C(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(C(C)C)c(C(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(CC(C)C)c(CC(C)C)ccc3n2)cc(C)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C25H30N.3C23H26N.C11H22O2.2C9H18O2.C5H10O2.4Ir/c1-16(2)11-20-7-9-25-22(23(20)12-17(3)4)8-10-24(26-25)21-14-18(5)13-19(6)15-21;3*1-14(2)19-7-10-22-20(23(19)15(3)4)8-9-21(24-22)18-12-16(5)11-17(6)13-18;1-8(2)5-10(12)7-11(13)6-9(3)4;2*1-6(2)8(10)5-9(11)7(3)4;1-4(6)3-5(2)7;;;;/h7-10,13-14,16-17H,11-12H2,1-6H3;3*7-12,14-15H,1-6H3;7-10,12-13H,5-6H2,1-4H3;2*5-8,10-11H,1-4H3;3-4,6-7H,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyQIXPSYUNBSMWQJ-UHFFFAOYSA-N
XLogP34.32
TPSA213.40 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds26
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002667.70
LogP ≤ 534.32
H-Bond Donors ≤ 58
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'}

Analyze 2-(3,5-dimethylbenzene-6-id-1-yl)-5,6-bis(2-methylpropyl)quinoline;tris(2-(3,5-dimethylbenzene-6-id-1-yl)-5,6-di(propan-2-yl)quinoline);bis(2,6-dimethylhept-3-ene-3,5-diol);2,8-dimethylnon-4-ene-4,6-diol;tetrakis(iridium);pent-2-ene-2,4-diol with MolForge

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Related Compounds

tris(5-tert-butyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline);2,6-dimethylhept-3-ene-3,5-diol;2,8-dimethylnon-4-ene-4,6-diol;tris(iridium);pent-2-ene-2,4-diol
CID 162285860
bis(2,6-dimethylhept-3-ene-3,5-diol);2,8-dimethylnon-4-ene-4,6-diol;tetrakis(iridium);bis(5-(2-methylpropyl)-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline);pent-2-ene-2,4-diol;bis(5-propan-2-yl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline)
CID 162285075
tris(2-(3,5-dimethylbenzene-6-id-1-yl)-5-ethylquinoline);2-(3,5-dimethylbenzene-6-id-1-yl)-5-propan-2-ylquinoline;2,6-dimethylhept-3-ene-3,5-diol;2,8-dimethylnon-4-ene-4,6-diol;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-phenylpent-2-ene-2,4-diol
CID 162285870
[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-7-yl]-triethylgermane;bis([2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylgermane);2,6-dimethylhept-3-ene-3,5-diol;tetrakis(iridium);tris(pent-2-ene-2,4-diol);triethyl-(2-phenylquinolin-7-yl)germane
CID 162285858
2,6-dimethylhept-3-ene-3,5-diol;2,8-dimethylnon-4-ene-4,6-diol;8-(2,6-dimethylphenyl)-2,4-dimethyl-5,6-dihydro-1H-benzo[c]acridin-1-ide;tris(8-ethyl-2,4-dimethyl-5,6-dihydro-1H-benzo[c]acridin-1-ide);tetrakis(iridium);pent-2-ene-2,4-diol;3-phenylpent-2-ene-2,4-diol
CID 162285943
3,7-diethyl-6-hydroxynon-5-en-4-one;tetrakis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline);5-hydroxy-2,6-dimethylhept-4-en-3-one;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium)
CID 159893845
1-(3,5-dimethylbenzene-6-id-1-yl)-5,7-bis(2-methylpropyl)isoquinoline;iridium;pent-2-ene-2,4-diol
CID 162285815
2,6-dimethylhept-3-ene-3,5-diol;1-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-4,6-bis(2-methylpropyl)isoquinoline;1-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-4,6-di(propan-2-yl)isoquinoline;bis(iridium);pent-2-ene-2,4-diol
CID 162280996
2-(3,5-dimethylbenzene-6-id-1-yl)-5-ethylquinoline;4-hydroxypentan-2-one;iridium
CID 154623395
bis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-ethylquinoline);bis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline);tetrakis(iridium);3-phenylpent-2-ene-2,4-diol;2-phenylpyridine;2,2,6,6-tetramethylhept-3-ene-3,5-diol
CID 162285874
2-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-4-(2-methylpropyl)quinoline;(Z)-6-hydroxy-2,8-dimethylnon-5-en-4-one;iridium
CID 155627691
5,6-bis(1-bicyclo[2.2.1]heptanyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;(Z)-6-hydroxy-2,8-dimethylnon-5-en-4-one;iridium
CID 156655093

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)-5,6-bis(2-methylpropyl)quinoline;tris(2-(3,5-dimethylbenzene-6-id-1-yl)-5,6-di(propan-2-yl)quinoline);bis(2,6-dimethylhept-3-ene-3,5-diol);2,8-dimethylnon-4-ene-4,6-diol;tetrakis(iridium);pent-2-ene-2,4-diol?
The IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)-5,6-bis(2-methylpropyl)quinoline;tris(2-(3,5-dimethylbenzene-6-id-1-yl)-5,6-di(propan-2-yl)quinoline);bis(2,6-dimethylhept-3-ene-3,5-diol);2,8-dimethylnon-4-ene-4,6-diol;tetrakis(iridium);pent-2-ene-2,4-diol (CID 162285853) is 2-(3,5-dimethylbenzene-6-id-1-yl)-5,6-bis(2-methylpropyl)quinoline;tris(2-(3,5-dimethylbenzene-6-id-1-yl)-5,6-di(propan-2-yl)quinoline);bis(2,6-dimethylhept-3-ene-3,5-diol);2,8-dimethylnon-4-ene-4,6-diol;tetrakis(iridium);pent-2-ene-2,4-diol.
What is the SMILES notation for 2-(3,5-dimethylbenzene-6-id-1-yl)-5,6-bis(2-methylpropyl)quinoline;tris(2-(3,5-dimethylbenzene-6-id-1-yl)-5,6-di(propan-2-yl)quinoline);bis(2,6-dimethylhept-3-ene-3,5-diol);2,8-dimethylnon-4-ene-4,6-diol;tetrakis(iridium);pent-2-ene-2,4-diol?
The canonical SMILES for 2-(3,5-dimethylbenzene-6-id-1-yl)-5,6-bis(2-methylpropyl)quinoline;tris(2-(3,5-dimethylbenzene-6-id-1-yl)-5,6-di(propan-2-yl)quinoline);bis(2,6-dimethylhept-3-ene-3,5-diol);2,8-dimethylnon-4-ene-4,6-diol;tetrakis(iridium);pent-2-ene-2,4-diol is CC(C)C(O)=CC(O)C(C)C.CC(C)C(O)=CC(O)C(C)C.CC(C)CC(O)=CC(O)CC(C)C.CC(O)=CC(C)O.Cc1[c-]c(-c2ccc3c(C(C)C)c(C(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(C(C)C)c(C(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(C(C)C)c(C(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(CC(C)C)c(CC(C)C)ccc3n2)cc(C)c1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2-(3,5-dimethylbenzene-6-id-1-yl)-5,6-bis(2-methylpropyl)quinoline;tris(2-(3,5-dimethylbenzene-6-id-1-yl)-5,6-di(propan-2-yl)quinoline);bis(2,6-dimethylhept-3-ene-3,5-diol);2,8-dimethylnon-4-ene-4,6-diol;tetrakis(iridium);pent-2-ene-2,4-diol?
The InChIKey is QIXPSYUNBSMWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N.3C23H26N.C11H22O2.2C9H18O2.C5H10O2.4Ir/c1-16(2)11-20-7-9-25-22(23(20)12-17(3)4)8-10-24(26-25)21-14-18(5)13-19(6)15-21;3*1-14(2)19-7-10-22-20(23(19)15(3)4)8-9-21(24-22)18-12-16(5)11-17(6)13-18;1-8(2)5-10(12)7-11(13)6-9(3)4;2*1-6(2)8(10)5-9(11)7(3)4;1-4(6)3-5(2)7;;;;/h7-10,13-14,16-17H,11-12H2,1-6H3;3*7-12,14-15H,1-6H3;7-10,12-13H,5-6H2,1-4H3;2*5-8,10-11H,1-4H3;3-4,6-7H,1-2H3;;;;/q4*-1;;;;;;;;.
What are the key properties of 2-(3,5-dimethylbenzene-6-id-1-yl)-5,6-bis(2-methylpropyl)quinoline;tris(2-(3,5-dimethylbenzene-6-id-1-yl)-5,6-di(propan-2-yl)quinoline);bis(2,6-dimethylhept-3-ene-3,5-diol);2,8-dimethylnon-4-ene-4,6-diol;tetrakis(iridium);pent-2-ene-2,4-diol?
2-(3,5-dimethylbenzene-6-id-1-yl)-5,6-bis(2-methylpropyl)quinoline;tris(2-(3,5-dimethylbenzene-6-id-1-yl)-5,6-di(propan-2-yl)quinoline);bis(2,6-dimethylhept-3-ene-3,5-diol);2,8-dimethylnon-4-ene-4,6-diol;tetrakis(iridium);pent-2-ene-2,4-diol has a molecular weight of 2667.70 g/mol, XLogP of 34.32, 26 rotatable bonds, 8 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)-5,6-bis(2-methylpropyl)quinoline;tris(2-(3,5-dimethylbenzene-6-id-1-yl)-5,6-di(propan-2-yl)quinoline);bis(2,6-dimethylhept-3-ene-3,5-diol);2,8-dimethylnon-4-ene-4,6-diol;tetrakis(iridium);pent-2-ene-2,4-diol is sourced from PubChem (CID 162285853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).