2,6-dimethylheptane-3,5-diol;2,8-dimethylnonane-4,6-diol;9-(2,6-dimethylphenyl)-3-(6-propylpyrimidin-4-yl)-2H-carbazol-2-ide;3-[6-(2,5-dimethylphenyl)pyrimidin-4-yl]-9-phenyl-2H-carbazol-2-ide;3-(5,6-dimethylpyrimidin-4-yl)-9-phenyl-2H-carbazol-2-ide;2,12-dimethyltridecane-6,8-diol;tris(iridium)

C116H140Ir3N9O6-3 — CID 157351411

IUPAC2,6-dimethylheptane-3,5-diol;2,8-dimethylnonane-4,6-diol;9-(2,6-dimethylphenyl)-3-(6-propylpyrimidin-4-yl)-2H-carbazol-2-ide;3-[6-(2,5-dimethylphenyl)pyrimidin-4-yl]-9-phenyl-2H-carbazol-2-ide;3-(5,6-dimethylpyrimidin-4-yl)-9-phenyl-2H-carbazol-2-ide;2,12-dimethyltridecane-6,8-diol;tris(iridium)
SMILESCC(C)C(O)CC(O)C(C)C.CC(C)CC(O)CC(O)CC(C)C.CC(C)CCCC(O)CC(O)CCCC(C)C.CCCc1cc(-c2[c-]cc3c(c2)c2ccccc2n3-c2c(C)cccc2C)ncn1.Cc1ccc(C)c(-c2cc(-c3[c-]cc4c(c3)c3ccccc3n4-c3ccccc3)ncn2)c1.Cc1ncnc(-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2)c1C.[Ir].[Ir].[Ir]
InChIInChI=1S/C30H22N3.C27H24N3.C24H18N3.C15H32O2.C11H24O2.C9H20O2.3Ir/c1-20-12-13-21(2)25(16-20)28-18-27(31-19-32-28)22-14-15-30-26(17-22)24-10-6-7-11-29(24)33(30)23-8-4-3-5-9-23;1-4-8-21-16-24(29-17-28-21)20-13-14-26-23(15-20)22-11-5-6-12-25(22)30(26)27-18(2)9-7-10-19(27)3;1-16-17(2)25-15-26-24(16)18-12-13-23-21(14-18)20-10-6-7-11-22(20)27(23)19-8-4-3-5-9-19;1-12(2)7-5-9-14(16)11-15(17)10-6-8-13(3)4;1-8(2)5-10(12)7-11(13)6-9(3)4;1-6(2)8(10)5-9(11)7(3)4;;;/h3-13,15-19H,1-2H3;5-7,9-12,14-17H,4,8H2,1-3H3;3-11,13-15H,1-2H3;12-17H,5-11H2,1-4H3;8-13H,5-7H2,1-4H3;6-11H,5H2,1-4H3;;;/q3*-1;;;;;;
InChIKeyGPCUTIDLVMODAN-UHFFFAOYSA-N
MW2333.10 g/mol
LogP26.94
Rot. Bonds29

About 2,6-dimethylheptane-3,5-diol;2,8-dimethylnonane-4,6-diol;9-(2,6-dimethylphenyl)-3-(6-propylpyrimidin-4-yl)-2H-carbazol-2-ide;3-[6-(2,5-dimethylphenyl)pyrimidin-4-yl]-9-phenyl-2H-carbazol-2-ide;3-(5,6-dimethylpyrimidin-4-yl)-9-phenyl-2H-carbazol-2-ide;2,12-dimethyltridecane-6,8-diol;tris(iridium)

2,6-dimethylheptane-3,5-diol;2,8-dimethylnonane-4,6-diol;9-(2,6-dimethylphenyl)-3-(6-propylpyrimidin-4-yl)-2H-carbazol-2-ide;3-[6-(2,5-dimethylphenyl)pyrimidin-4-yl]-9-phenyl-2H-carbazol-2-ide;3-(5,6-dimethylpyrimidin-4-yl)-9-phenyl-2H-carbazol-2-ide;2,12-dimethyltridecane-6,8-diol;tris(iridium) (PubChem CID 157351411) has the molecular formula C116H140Ir3N9O6-3 and a molecular weight of 2333.10 g/mol. Its IUPAC name is 2,6-dimethylheptane-3,5-diol;2,8-dimethylnonane-4,6-diol;9-(2,6-dimethylphenyl)-3-(6-propylpyrimidin-4-yl)-2H-carbazol-2-ide;3-[6-(2,5-dimethylphenyl)pyrimidin-4-yl]-9-phenyl-2H-carbazol-2-ide;3-(5,6-dimethylpyrimidin-4-yl)-9-phenyl-2H-carbazol-2-ide;2,12-dimethyltridecane-6,8-diol;tris(iridium).

Molecular Properties

Compound Name2,6-dimethylheptane-3,5-diol;2,8-dimethylnonane-4,6-diol;9-(2,6-dimethylphenyl)-3-(6-propylpyrimidin-4-yl)-2H-carbazol-2-ide;3-[6-(2,5-dimethylphenyl)pyrimidin-4-yl]-9-phenyl-2H-carbazol-2-ide;3-(5,6-dimethylpyrimidin-4-yl)-9-phenyl-2H-carbazol-2-ide;2,12-dimethyltridecane-6,8-diol;tris(iridium)
PubChem CID157351411
Molecular FormulaC116H140Ir3N9O6-3
Molecular Weight2333.10 g/mol
Exact Mass2333.98
IUPAC Name2,6-dimethylheptane-3,5-diol;2,8-dimethylnonane-4,6-diol;9-(2,6-dimethylphenyl)-3-(6-propylpyrimidin-4-yl)-2H-carbazol-2-ide;3-[6-(2,5-dimethylphenyl)pyrimidin-4-yl]-9-phenyl-2H-carbazol-2-ide;3-(5,6-dimethylpyrimidin-4-yl)-9-phenyl-2H-carbazol-2-ide;2,12-dimethyltridecane-6,8-diol;tris(iridium)
SMILESCC(C)C(O)CC(O)C(C)C.CC(C)CC(O)CC(O)CC(C)C.CC(C)CCCC(O)CC(O)CCCC(C)C.CCCc1cc(-c2[c-]cc3c(c2)c2ccccc2n3-c2c(C)cccc2C)ncn1.Cc1ccc(C)c(-c2cc(-c3[c-]cc4c(c3)c3ccccc3n4-c3ccccc3)ncn2)c1.Cc1ncnc(-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2)c1C.[Ir].[Ir].[Ir]
InChIInChI=1S/C30H22N3.C27H24N3.C24H18N3.C15H32O2.C11H24O2.C9H20O2.3Ir/c1-20-12-13-21(2)25(16-20)28-18-27(31-19-32-28)22-14-15-30-26(17-22)24-10-6-7-11-29(24)33(30)23-8-4-3-5-9-23;1-4-8-21-16-24(29-17-28-21)20-13-14-26-23(15-20)22-11-5-6-12-25(22)30(26)27-18(2)9-7-10-19(27)3;1-16-17(2)25-15-26-24(16)18-12-13-23-21(14-18)20-10-6-7-11-22(20)27(23)19-8-4-3-5-9-19;1-12(2)7-5-9-14(16)11-15(17)10-6-8-13(3)4;1-8(2)5-10(12)7-11(13)6-9(3)4;1-6(2)8(10)5-9(11)7(3)4;;;/h3-13,15-19H,1-2H3;5-7,9-12,14-17H,4,8H2,1-3H3;3-11,13-15H,1-2H3;12-17H,5-11H2,1-4H3;8-13H,5-7H2,1-4H3;6-11H,5H2,1-4H3;;;/q3*-1;;;;;;
InChIKeyGPCUTIDLVMODAN-UHFFFAOYSA-N
XLogP26.94
TPSA213.51 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds29
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002333.10
LogP ≤ 526.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2,6-dimethylheptane-3,5-diol;2,8-dimethylnonane-4,6-diol;9-(2,6-dimethylphenyl)-3-(6-propylpyrimidin-4-yl)-2H-carbazol-2-ide;3-[6-(2,5-dimethylphenyl)pyrimidin-4-yl]-9-phenyl-2H-carbazol-2-ide;3-(5,6-dimethylpyrimidin-4-yl)-9-phenyl-2H-carbazol-2-ide;2,12-dimethyltridecane-6,8-diol;tris(iridium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylheptane-3,5-diol;2,8-dimethylnonane-4,6-diol;9-(2,6-dimethylphenyl)-3-(6-propylpyrimidin-4-yl)-2H-carbazol-2-ide;3-[6-(2,5-dimethylphenyl)pyrimidin-4-yl]-9-phenyl-2H-carbazol-2-ide;3-(5,6-dimethylpyrimidin-4-yl)-9-phenyl-2H-carbazol-2-ide;2,12-dimethyltridecane-6,8-diol;tris(iridium)?
The IUPAC name of 2,6-dimethylheptane-3,5-diol;2,8-dimethylnonane-4,6-diol;9-(2,6-dimethylphenyl)-3-(6-propylpyrimidin-4-yl)-2H-carbazol-2-ide;3-[6-(2,5-dimethylphenyl)pyrimidin-4-yl]-9-phenyl-2H-carbazol-2-ide;3-(5,6-dimethylpyrimidin-4-yl)-9-phenyl-2H-carbazol-2-ide;2,12-dimethyltridecane-6,8-diol;tris(iridium) (CID 157351411) is 2,6-dimethylheptane-3,5-diol;2,8-dimethylnonane-4,6-diol;9-(2,6-dimethylphenyl)-3-(6-propylpyrimidin-4-yl)-2H-carbazol-2-ide;3-[6-(2,5-dimethylphenyl)pyrimidin-4-yl]-9-phenyl-2H-carbazol-2-ide;3-(5,6-dimethylpyrimidin-4-yl)-9-phenyl-2H-carbazol-2-ide;2,12-dimethyltridecane-6,8-diol;tris(iridium).
What is the SMILES notation for 2,6-dimethylheptane-3,5-diol;2,8-dimethylnonane-4,6-diol;9-(2,6-dimethylphenyl)-3-(6-propylpyrimidin-4-yl)-2H-carbazol-2-ide;3-[6-(2,5-dimethylphenyl)pyrimidin-4-yl]-9-phenyl-2H-carbazol-2-ide;3-(5,6-dimethylpyrimidin-4-yl)-9-phenyl-2H-carbazol-2-ide;2,12-dimethyltridecane-6,8-diol;tris(iridium)?
The canonical SMILES for 2,6-dimethylheptane-3,5-diol;2,8-dimethylnonane-4,6-diol;9-(2,6-dimethylphenyl)-3-(6-propylpyrimidin-4-yl)-2H-carbazol-2-ide;3-[6-(2,5-dimethylphenyl)pyrimidin-4-yl]-9-phenyl-2H-carbazol-2-ide;3-(5,6-dimethylpyrimidin-4-yl)-9-phenyl-2H-carbazol-2-ide;2,12-dimethyltridecane-6,8-diol;tris(iridium) is CC(C)C(O)CC(O)C(C)C.CC(C)CC(O)CC(O)CC(C)C.CC(C)CCCC(O)CC(O)CCCC(C)C.CCCc1cc(-c2[c-]cc3c(c2)c2ccccc2n3-c2c(C)cccc2C)ncn1.Cc1ccc(C)c(-c2cc(-c3[c-]cc4c(c3)c3ccccc3n4-c3ccccc3)ncn2)c1.Cc1ncnc(-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2)c1C.[Ir].[Ir].[Ir].
What is the InChIKey of 2,6-dimethylheptane-3,5-diol;2,8-dimethylnonane-4,6-diol;9-(2,6-dimethylphenyl)-3-(6-propylpyrimidin-4-yl)-2H-carbazol-2-ide;3-[6-(2,5-dimethylphenyl)pyrimidin-4-yl]-9-phenyl-2H-carbazol-2-ide;3-(5,6-dimethylpyrimidin-4-yl)-9-phenyl-2H-carbazol-2-ide;2,12-dimethyltridecane-6,8-diol;tris(iridium)?
The InChIKey is GPCUTIDLVMODAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N3.C27H24N3.C24H18N3.C15H32O2.C11H24O2.C9H20O2.3Ir/c1-20-12-13-21(2)25(16-20)28-18-27(31-19-32-28)22-14-15-30-26(17-22)24-10-6-7-11-29(24)33(30)23-8-4-3-5-9-23;1-4-8-21-16-24(29-17-28-21)20-13-14-26-23(15-20)22-11-5-6-12-25(22)30(26)27-18(2)9-7-10-19(27)3;1-16-17(2)25-15-26-24(16)18-12-13-23-21(14-18)20-10-6-7-11-22(20)27(23)19-8-4-3-5-9-19;1-12(2)7-5-9-14(16)11-15(17)10-6-8-13(3)4;1-8(2)5-10(12)7-11(13)6-9(3)4;1-6(2)8(10)5-9(11)7(3)4;;;/h3-13,15-19H,1-2H3;5-7,9-12,14-17H,4,8H2,1-3H3;3-11,13-15H,1-2H3;12-17H,5-11H2,1-4H3;8-13H,5-7H2,1-4H3;6-11H,5H2,1-4H3;;;/q3*-1;;;;;;.
What are the key properties of 2,6-dimethylheptane-3,5-diol;2,8-dimethylnonane-4,6-diol;9-(2,6-dimethylphenyl)-3-(6-propylpyrimidin-4-yl)-2H-carbazol-2-ide;3-[6-(2,5-dimethylphenyl)pyrimidin-4-yl]-9-phenyl-2H-carbazol-2-ide;3-(5,6-dimethylpyrimidin-4-yl)-9-phenyl-2H-carbazol-2-ide;2,12-dimethyltridecane-6,8-diol;tris(iridium)?
2,6-dimethylheptane-3,5-diol;2,8-dimethylnonane-4,6-diol;9-(2,6-dimethylphenyl)-3-(6-propylpyrimidin-4-yl)-2H-carbazol-2-ide;3-[6-(2,5-dimethylphenyl)pyrimidin-4-yl]-9-phenyl-2H-carbazol-2-ide;3-(5,6-dimethylpyrimidin-4-yl)-9-phenyl-2H-carbazol-2-ide;2,12-dimethyltridecane-6,8-diol;tris(iridium) has a molecular weight of 2333.10 g/mol, XLogP of 26.94, 29 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylheptane-3,5-diol;2,8-dimethylnonane-4,6-diol;9-(2,6-dimethylphenyl)-3-(6-propylpyrimidin-4-yl)-2H-carbazol-2-ide;3-[6-(2,5-dimethylphenyl)pyrimidin-4-yl]-9-phenyl-2H-carbazol-2-ide;3-(5,6-dimethylpyrimidin-4-yl)-9-phenyl-2H-carbazol-2-ide;2,12-dimethyltridecane-6,8-diol;tris(iridium) is sourced from PubChem (CID 157351411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).