2,6-dimethylheptane-3,5-diol;5,5-dimethylhexane-2,4-diol;4-(2,6-dimethylphenyl)-6-(4-phenylbenzene-6-id-1-yl)pyrimidine;tetrakis(4-(2,6-dimethylphenyl)-6-phenylpyrimidine);pentakis(iridium);bis(pentane-2,4-diol);2,2,6,6-tetramethylheptane-3,5-diol

C134H165Ir5N10O10-5 — CID 157388005

IUPAC2,6-dimethylheptane-3,5-diol;5,5-dimethylhexane-2,4-diol;4-(2,6-dimethylphenyl)-6-(4-phenylbenzene-6-id-1-yl)pyrimidine;tetrakis(4-(2,6-dimethylphenyl)-6-phenylpyrimidine);pentakis(iridium);bis(pentane-2,4-diol);2,2,6,6-tetramethylheptane-3,5-diol
SMILESCC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)C(O)CC(O)C(C)C.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(O)C(C)(C)C.Cc1cccc(C)c1-c1cc(-c2[c-]cc(-c3ccccc3)cc2)ncn1.Cc1cccc(C)c1-c1cc(-c2[c-]cccc2)ncn1.Cc1cccc(C)c1-c1cc(-c2[c-]cccc2)ncn1.Cc1cccc(C)c1-c1cc(-c2[c-]cccc2)ncn1.Cc1cccc(C)c1-c1cc(-c2[c-]cccc2)ncn1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C24H19N2.4C18H15N2.C11H24O2.C9H20O2.C8H18O2.2C5H12O2.5Ir/c1-17-7-6-8-18(2)24(17)23-15-22(25-16-26-23)21-13-11-20(12-14-21)19-9-4-3-5-10-19;4*1-13-7-6-8-14(2)18(13)17-11-16(19-12-20-17)15-9-4-3-5-10-15;1-10(2,3)8(12)7-9(13)11(4,5)6;1-6(2)8(10)5-9(11)7(3)4;1-6(9)5-7(10)8(2,3)4;2*1-4(6)3-5(2)7;;;;;/h3-13,15-16H,1-2H3;4*3-9,11-12H,1-2H3;8-9,12-13H,7H2,1-6H3;6-11H,5H2,1-4H3;6-7,9-10H,5H2,1-4H3;2*4-7H,3H2,1-2H3;;;;;/q5*-1;;;;;;;;;;
InChIKeyDSACNKUFHODUNM-UHFFFAOYSA-N
MW3036.94 g/mol
LogP27.83
Rot. Bonds23

About 2,6-dimethylheptane-3,5-diol;5,5-dimethylhexane-2,4-diol;4-(2,6-dimethylphenyl)-6-(4-phenylbenzene-6-id-1-yl)pyrimidine;tetrakis(4-(2,6-dimethylphenyl)-6-phenylpyrimidine);pentakis(iridium);bis(pentane-2,4-diol);2,2,6,6-tetramethylheptane-3,5-diol

2,6-dimethylheptane-3,5-diol;5,5-dimethylhexane-2,4-diol;4-(2,6-dimethylphenyl)-6-(4-phenylbenzene-6-id-1-yl)pyrimidine;tetrakis(4-(2,6-dimethylphenyl)-6-phenylpyrimidine);pentakis(iridium);bis(pentane-2,4-diol);2,2,6,6-tetramethylheptane-3,5-diol (PubChem CID 157388005) has the molecular formula C134H165Ir5N10O10-5 and a molecular weight of 3036.94 g/mol. Its IUPAC name is 2,6-dimethylheptane-3,5-diol;5,5-dimethylhexane-2,4-diol;4-(2,6-dimethylphenyl)-6-(4-phenylbenzene-6-id-1-yl)pyrimidine;tetrakis(4-(2,6-dimethylphenyl)-6-phenylpyrimidine);pentakis(iridium);bis(pentane-2,4-diol);2,2,6,6-tetramethylheptane-3,5-diol.

Molecular Properties

Compound Name2,6-dimethylheptane-3,5-diol;5,5-dimethylhexane-2,4-diol;4-(2,6-dimethylphenyl)-6-(4-phenylbenzene-6-id-1-yl)pyrimidine;tetrakis(4-(2,6-dimethylphenyl)-6-phenylpyrimidine);pentakis(iridium);bis(pentane-2,4-diol);2,2,6,6-tetramethylheptane-3,5-diol
PubChem CID157388005
Molecular FormulaC134H165Ir5N10O10-5
Molecular Weight3036.94 g/mol
Exact Mass3039.09
IUPAC Name2,6-dimethylheptane-3,5-diol;5,5-dimethylhexane-2,4-diol;4-(2,6-dimethylphenyl)-6-(4-phenylbenzene-6-id-1-yl)pyrimidine;tetrakis(4-(2,6-dimethylphenyl)-6-phenylpyrimidine);pentakis(iridium);bis(pentane-2,4-diol);2,2,6,6-tetramethylheptane-3,5-diol
SMILESCC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)C(O)CC(O)C(C)C.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(O)C(C)(C)C.Cc1cccc(C)c1-c1cc(-c2[c-]cc(-c3ccccc3)cc2)ncn1.Cc1cccc(C)c1-c1cc(-c2[c-]cccc2)ncn1.Cc1cccc(C)c1-c1cc(-c2[c-]cccc2)ncn1.Cc1cccc(C)c1-c1cc(-c2[c-]cccc2)ncn1.Cc1cccc(C)c1-c1cc(-c2[c-]cccc2)ncn1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C24H19N2.4C18H15N2.C11H24O2.C9H20O2.C8H18O2.2C5H12O2.5Ir/c1-17-7-6-8-18(2)24(17)23-15-22(25-16-26-23)21-13-11-20(12-14-21)19-9-4-3-5-10-19;4*1-13-7-6-8-14(2)18(13)17-11-16(19-12-20-17)15-9-4-3-5-10-15;1-10(2,3)8(12)7-9(13)11(4,5)6;1-6(2)8(10)5-9(11)7(3)4;1-6(9)5-7(10)8(2,3)4;2*1-4(6)3-5(2)7;;;;;/h3-13,15-16H,1-2H3;4*3-9,11-12H,1-2H3;8-9,12-13H,7H2,1-6H3;6-11H,5H2,1-4H3;6-7,9-10H,5H2,1-4H3;2*4-7H,3H2,1-2H3;;;;;/q5*-1;;;;;;;;;;
InChIKeyDSACNKUFHODUNM-UHFFFAOYSA-N
XLogP27.83
TPSA331.20 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003036.94
LogP ≤ 527.83
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2,6-dimethylheptane-3,5-diol;5,5-dimethylhexane-2,4-diol;4-(2,6-dimethylphenyl)-6-(4-phenylbenzene-6-id-1-yl)pyrimidine;tetrakis(4-(2,6-dimethylphenyl)-6-phenylpyrimidine);pentakis(iridium);bis(pentane-2,4-diol);2,2,6,6-tetramethylheptane-3,5-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylheptane-3,5-diol;5,5-dimethylhexane-2,4-diol;4-(2,6-dimethylphenyl)-6-(4-phenylbenzene-6-id-1-yl)pyrimidine;tetrakis(4-(2,6-dimethylphenyl)-6-phenylpyrimidine);pentakis(iridium);bis(pentane-2,4-diol);2,2,6,6-tetramethylheptane-3,5-diol?
The IUPAC name of 2,6-dimethylheptane-3,5-diol;5,5-dimethylhexane-2,4-diol;4-(2,6-dimethylphenyl)-6-(4-phenylbenzene-6-id-1-yl)pyrimidine;tetrakis(4-(2,6-dimethylphenyl)-6-phenylpyrimidine);pentakis(iridium);bis(pentane-2,4-diol);2,2,6,6-tetramethylheptane-3,5-diol (CID 157388005) is 2,6-dimethylheptane-3,5-diol;5,5-dimethylhexane-2,4-diol;4-(2,6-dimethylphenyl)-6-(4-phenylbenzene-6-id-1-yl)pyrimidine;tetrakis(4-(2,6-dimethylphenyl)-6-phenylpyrimidine);pentakis(iridium);bis(pentane-2,4-diol);2,2,6,6-tetramethylheptane-3,5-diol.
What is the SMILES notation for 2,6-dimethylheptane-3,5-diol;5,5-dimethylhexane-2,4-diol;4-(2,6-dimethylphenyl)-6-(4-phenylbenzene-6-id-1-yl)pyrimidine;tetrakis(4-(2,6-dimethylphenyl)-6-phenylpyrimidine);pentakis(iridium);bis(pentane-2,4-diol);2,2,6,6-tetramethylheptane-3,5-diol?
The canonical SMILES for 2,6-dimethylheptane-3,5-diol;5,5-dimethylhexane-2,4-diol;4-(2,6-dimethylphenyl)-6-(4-phenylbenzene-6-id-1-yl)pyrimidine;tetrakis(4-(2,6-dimethylphenyl)-6-phenylpyrimidine);pentakis(iridium);bis(pentane-2,4-diol);2,2,6,6-tetramethylheptane-3,5-diol is CC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)C(O)CC(O)C(C)C.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(O)C(C)(C)C.Cc1cccc(C)c1-c1cc(-c2[c-]cc(-c3ccccc3)cc2)ncn1.Cc1cccc(C)c1-c1cc(-c2[c-]cccc2)ncn1.Cc1cccc(C)c1-c1cc(-c2[c-]cccc2)ncn1.Cc1cccc(C)c1-c1cc(-c2[c-]cccc2)ncn1.Cc1cccc(C)c1-c1cc(-c2[c-]cccc2)ncn1.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2,6-dimethylheptane-3,5-diol;5,5-dimethylhexane-2,4-diol;4-(2,6-dimethylphenyl)-6-(4-phenylbenzene-6-id-1-yl)pyrimidine;tetrakis(4-(2,6-dimethylphenyl)-6-phenylpyrimidine);pentakis(iridium);bis(pentane-2,4-diol);2,2,6,6-tetramethylheptane-3,5-diol?
The InChIKey is DSACNKUFHODUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N2.4C18H15N2.C11H24O2.C9H20O2.C8H18O2.2C5H12O2.5Ir/c1-17-7-6-8-18(2)24(17)23-15-22(25-16-26-23)21-13-11-20(12-14-21)19-9-4-3-5-10-19;4*1-13-7-6-8-14(2)18(13)17-11-16(19-12-20-17)15-9-4-3-5-10-15;1-10(2,3)8(12)7-9(13)11(4,5)6;1-6(2)8(10)5-9(11)7(3)4;1-6(9)5-7(10)8(2,3)4;2*1-4(6)3-5(2)7;;;;;/h3-13,15-16H,1-2H3;4*3-9,11-12H,1-2H3;8-9,12-13H,7H2,1-6H3;6-11H,5H2,1-4H3;6-7,9-10H,5H2,1-4H3;2*4-7H,3H2,1-2H3;;;;;/q5*-1;;;;;;;;;;.
What are the key properties of 2,6-dimethylheptane-3,5-diol;5,5-dimethylhexane-2,4-diol;4-(2,6-dimethylphenyl)-6-(4-phenylbenzene-6-id-1-yl)pyrimidine;tetrakis(4-(2,6-dimethylphenyl)-6-phenylpyrimidine);pentakis(iridium);bis(pentane-2,4-diol);2,2,6,6-tetramethylheptane-3,5-diol?
2,6-dimethylheptane-3,5-diol;5,5-dimethylhexane-2,4-diol;4-(2,6-dimethylphenyl)-6-(4-phenylbenzene-6-id-1-yl)pyrimidine;tetrakis(4-(2,6-dimethylphenyl)-6-phenylpyrimidine);pentakis(iridium);bis(pentane-2,4-diol);2,2,6,6-tetramethylheptane-3,5-diol has a molecular weight of 3036.94 g/mol, XLogP of 27.83, 23 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylheptane-3,5-diol;5,5-dimethylhexane-2,4-diol;4-(2,6-dimethylphenyl)-6-(4-phenylbenzene-6-id-1-yl)pyrimidine;tetrakis(4-(2,6-dimethylphenyl)-6-phenylpyrimidine);pentakis(iridium);bis(pentane-2,4-diol);2,2,6,6-tetramethylheptane-3,5-diol is sourced from PubChem (CID 157388005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).