[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

C108H144Ge4Ir4N4O8-4 — CID 162285858

IUPAC[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
SMILESCC(C)C(O)=CC(O)C(C)C.CC(O)=CC(C)O.CC(O)=CC(C)O.CC(O)=CC(C)O.CC[Ge](CC)(CC)c1ccc2ccc(-c3[c-]c(C)cc(C)c3)nc2c1.CC[Ge](CC)(CC)c1ccc2ccc(-c3[c-]cccc3)nc2c1.Cc1[c-]c(-c2ccc3cc([Ge](C)(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3cc([Ge](C)(C)C)ccc3n2)cc(C)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C23H28GeN.C21H24GeN.2C20H22GeN.C9H18O2.3C5H10O2.4Ir/c1-6-24(7-2,8-3)21-11-9-19-10-12-22(25-23(19)16-21)20-14-17(4)13-18(5)15-20;1-4-22(5-2,6-3)19-14-12-18-13-15-20(23-21(18)16-19)17-10-8-7-9-11-17;2*1-14-10-15(2)12-17(11-14)20-8-6-16-13-18(21(3,4)5)7-9-19(16)22-20;1-6(2)8(10)5-9(11)7(3)4;3*1-4(6)3-5(2)7;;;;/h9-14,16H,6-8H2,1-5H3;7-10,12-16H,4-6H2,1-3H3;2*6-11,13H,1-5H3;5-8,10-11H,1-4H3;3*3-4,6-7H,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyCKNLVEWNVUWTBK-UHFFFAOYSA-N
MW2685.67 g/mol
LogP25.76
Rot. Bonds20

About [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

[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 (PubChem CID 162285858) has the molecular formula C108H144Ge4Ir4N4O8-4 and a molecular weight of 2685.67 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID162285858
Molecular FormulaC108H144Ge4Ir4N4O8-4
Molecular Weight2685.67 g/mol
Exact Mass2692.64
IUPAC Name[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
SMILESCC(C)C(O)=CC(O)C(C)C.CC(O)=CC(C)O.CC(O)=CC(C)O.CC(O)=CC(C)O.CC[Ge](CC)(CC)c1ccc2ccc(-c3[c-]c(C)cc(C)c3)nc2c1.CC[Ge](CC)(CC)c1ccc2ccc(-c3[c-]cccc3)nc2c1.Cc1[c-]c(-c2ccc3cc([Ge](C)(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3cc([Ge](C)(C)C)ccc3n2)cc(C)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C23H28GeN.C21H24GeN.2C20H22GeN.C9H18O2.3C5H10O2.4Ir/c1-6-24(7-2,8-3)21-11-9-19-10-12-22(25-23(19)16-21)20-14-17(4)13-18(5)15-20;1-4-22(5-2,6-3)19-14-12-18-13-15-20(23-21(18)16-19)17-10-8-7-9-11-17;2*1-14-10-15(2)12-17(11-14)20-8-6-16-13-18(21(3,4)5)7-9-19(16)22-20;1-6(2)8(10)5-9(11)7(3)4;3*1-4(6)3-5(2)7;;;;/h9-14,16H,6-8H2,1-5H3;7-10,12-16H,4-6H2,1-3H3;2*6-11,13H,1-5H3;5-8,10-11H,1-4H3;3*3-4,6-7H,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyCKNLVEWNVUWTBK-UHFFFAOYSA-N
XLogP25.76
TPSA213.40 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002685.67
LogP ≤ 525.76
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)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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;tris(iridium);3-methyl-2-phenylpyridine;bis(pent-2-ene-2,4-diol)
CID 162285824
iridium;pent-2-ene-2,4-diol;2-phenylquinoline
CID 146899847
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-(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)-4-phenylquinolin-6-yl]-trimethylgermane;(Z)-5-hydroxy-2,6-dimethylhept-4-en-3-one;iridium
CID 156675781
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
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)-6-methylquinoline;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 58162348
[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
butan-2-ol;iridium;2-phenylquinoline
CID 155610243
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
[2-(3,5-dimethylbenzene-6-id-1-yl)-4-phenylquinolin-6-yl]-trimethylgermane;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
CID 156675645

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(C)C(O)=CC(O)C(C)C.CC(O)=CC(C)O.CC(O)=CC(C)O.CC(O)=CC(C)O.CC[Ge](CC)(CC)c1ccc2ccc(-c3[c-]c(C)cc(C)c3)nc2c1.CC[Ge](CC)(CC)c1ccc2ccc(-c3[c-]cccc3)nc2c1.Cc1[c-]c(-c2ccc3cc([Ge](C)(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3cc([Ge](C)(C)C)ccc3n2)cc(C)c1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of [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?
The InChIKey is CKNLVEWNVUWTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28GeN.C21H24GeN.2C20H22GeN.C9H18O2.3C5H10O2.4Ir/c1-6-24(7-2,8-3)21-11-9-19-10-12-22(25-23(19)16-21)20-14-17(4)13-18(5)15-20;1-4-22(5-2,6-3)19-14-12-18-13-15-20(23-21(18)16-19)17-10-8-7-9-11-17;2*1-14-10-15(2)12-17(11-14)20-8-6-16-13-18(21(3,4)5)7-9-19(16)22-20;1-6(2)8(10)5-9(11)7(3)4;3*1-4(6)3-5(2)7;;;;/h9-14,16H,6-8H2,1-5H3;7-10,12-16H,4-6H2,1-3H3;2*6-11,13H,1-5H3;5-8,10-11H,1-4H3;3*3-4,6-7H,1-2H3;;;;/q4*-1;;;;;;;;.
What are the key properties of [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?
[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 has a molecular weight of 2685.67 g/mol, XLogP of 25.76, 20 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)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 is sourced from PubChem (CID 162285858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).