3-(3,5-dimethylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)-7,8-dimethylbenzo[g]quinoxaline;3-(3,5-dimethylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)naphtho[2,3-g]quinoxaline;3-(3,5-dipropylbenzene-6-id-1-yl)-2-(3,5-dipropylphenyl)benzo[g]quinoxaline;tris(iridium);tris(2,2,6,6-tetramethylheptane-3,5-diol)

C131H163Ir3N6O6-3 — CID 160879029

IUPAC3-(3,5-dimethylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)-7,8-dimethylbenzo[g]quinoxaline;3-(3,5-dimethylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)naphtho[2,3-g]quinoxaline;3-(3,5-dipropylbenzene-6-id-1-yl)-2-(3,5-dipropylphenyl)benzo[g]quinoxaline;tris(iridium);tris(2,2,6,6-tetramethylheptane-3,5-diol)
SMILESCC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.CCCc1[c-]c(-c2nc3cc4ccccc4cc3nc2-c2cc(CCC)cc(CCC)c2)cc(CCC)c1.Cc1[c-]c(-c2nc3cc4cc(C)c(C)cc4cc3nc2-c2cc(C)cc(C)c2)cc(C)c1.Cc1[c-]c(-c2nc3cc4cc5ccccc5cc4cc3nc2-c2cc(C)cc(C)c2)cc(C)c1.[Ir].[Ir].[Ir]
InChIInChI=1S/C36H39N2.C32H25N2.C30H27N2.3C11H24O2.3Ir/c1-5-11-25-17-26(12-6-2)20-31(19-25)35-36(32-21-27(13-7-3)18-28(22-32)14-8-4)38-34-24-30-16-10-9-15-29(30)23-33(34)37-35;1-19-9-20(2)12-27(11-19)31-32(28-13-21(3)10-22(4)14-28)34-30-18-26-16-24-8-6-5-7-23(24)15-25(26)17-29(30)33-31;1-17-7-18(2)10-25(9-17)29-30(26-11-19(3)8-20(4)12-26)32-28-16-24-14-22(6)21(5)13-23(24)15-27(28)31-29;3*1-10(2,3)8(12)7-9(13)11(4,5)6;;;/h9-10,15-21,23-24H,5-8,11-14H2,1-4H3;5-13,15-18H,1-4H3;7-11,13-16H,1-6H3;3*8-9,12-13H,7H2,1-6H3;;;/q3*-1;;;;;;
InChIKeyULKTXCXTCOPEEL-UHFFFAOYSA-N
MW2494.43 g/mol
LogP32.36
Rot. Bonds20

About 3-(3,5-dimethylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)-7,8-dimethylbenzo[g]quinoxaline;3-(3,5-dimethylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)naphtho[2,3-g]quinoxaline;3-(3,5-dipropylbenzene-6-id-1-yl)-2-(3,5-dipropylphenyl)benzo[g]quinoxaline;tris(iridium);tris(2,2,6,6-tetramethylheptane-3,5-diol)

3-(3,5-dimethylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)-7,8-dimethylbenzo[g]quinoxaline;3-(3,5-dimethylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)naphtho[2,3-g]quinoxaline;3-(3,5-dipropylbenzene-6-id-1-yl)-2-(3,5-dipropylphenyl)benzo[g]quinoxaline;tris(iridium);tris(2,2,6,6-tetramethylheptane-3,5-diol) (PubChem CID 160879029) has the molecular formula C131H163Ir3N6O6-3 and a molecular weight of 2494.43 g/mol. Its IUPAC name is 3-(3,5-dimethylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)-7,8-dimethylbenzo[g]quinoxaline;3-(3,5-dimethylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)naphtho[2,3-g]quinoxaline;3-(3,5-dipropylbenzene-6-id-1-yl)-2-(3,5-dipropylphenyl)benzo[g]quinoxaline;tris(iridium);tris(2,2,6,6-tetramethylheptane-3,5-diol).

Molecular Properties

Compound Name3-(3,5-dimethylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)-7,8-dimethylbenzo[g]quinoxaline;3-(3,5-dimethylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)naphtho[2,3-g]quinoxaline;3-(3,5-dipropylbenzene-6-id-1-yl)-2-(3,5-dipropylphenyl)benzo[g]quinoxaline;tris(iridium);tris(2,2,6,6-tetramethylheptane-3,5-diol)
PubChem CID160879029
Molecular FormulaC131H163Ir3N6O6-3
Molecular Weight2494.43 g/mol
Exact Mass2495.15
IUPAC Name3-(3,5-dimethylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)-7,8-dimethylbenzo[g]quinoxaline;3-(3,5-dimethylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)naphtho[2,3-g]quinoxaline;3-(3,5-dipropylbenzene-6-id-1-yl)-2-(3,5-dipropylphenyl)benzo[g]quinoxaline;tris(iridium);tris(2,2,6,6-tetramethylheptane-3,5-diol)
SMILESCC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.CCCc1[c-]c(-c2nc3cc4ccccc4cc3nc2-c2cc(CCC)cc(CCC)c2)cc(CCC)c1.Cc1[c-]c(-c2nc3cc4cc(C)c(C)cc4cc3nc2-c2cc(C)cc(C)c2)cc(C)c1.Cc1[c-]c(-c2nc3cc4cc5ccccc5cc4cc3nc2-c2cc(C)cc(C)c2)cc(C)c1.[Ir].[Ir].[Ir]
InChIInChI=1S/C36H39N2.C32H25N2.C30H27N2.3C11H24O2.3Ir/c1-5-11-25-17-26(12-6-2)20-31(19-25)35-36(32-21-27(13-7-3)18-28(22-32)14-8-4)38-34-24-30-16-10-9-15-29(30)23-33(34)37-35;1-19-9-20(2)12-27(11-19)31-32(28-13-21(3)10-22(4)14-28)34-30-18-26-16-24-8-6-5-7-23(24)15-25(26)17-29(30)33-31;1-17-7-18(2)10-25(9-17)29-30(26-11-19(3)8-20(4)12-26)32-28-16-24-14-22(6)21(5)13-23(24)15-27(28)31-29;3*1-10(2,3)8(12)7-9(13)11(4,5)6;;;/h9-10,15-21,23-24H,5-8,11-14H2,1-4H3;5-13,15-18H,1-4H3;7-11,13-16H,1-6H3;3*8-9,12-13H,7H2,1-6H3;;;/q3*-1;;;;;;
InChIKeyULKTXCXTCOPEEL-UHFFFAOYSA-N
XLogP32.36
TPSA198.72 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002494.43
LogP ≤ 532.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3-(3,5-dimethylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)-7,8-dimethylbenzo[g]quinoxaline;3-(3,5-dimethylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)naphtho[2,3-g]quinoxaline;3-(3,5-dipropylbenzene-6-id-1-yl)-2-(3,5-dipropylphenyl)benzo[g]quinoxaline;tris(iridium);tris(2,2,6,6-tetramethylheptane-3,5-diol) with MolForge

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Related Compounds

2-(3,5-dimethylbenzene-6-id-1-yl)-3,5,7-trimethylquinoline;5,5-dimethylhexane-2,4-diol;iridium
CID 58871276
2-(3,5-dimethylbenzene-6-id-1-yl)-3,5-bis(3,5-dimethylphenyl)pyrazine;bis(2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine);2,6-dimethylheptane-3,5-diol;tris(iridium);pentane-2,4-diol;2,2,6,6-tetramethylheptane-3,5-diol
CID 158853802
2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;iridium;pentane-2,4-diol
CID 140610524
2-(2,5-dimethylbenzene-6-id-1-yl)-3,5,7-trimethylquinoline;5,5-dimethylhexane-2,4-diol;iridium
CID 58871248
2-(3,5-dimethylphenyl)-3-methylquinoline
CID 59273843
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;5-(3-isocyano-2-methylphenyl)-2-(3-methyl-5-propylbenzene-2-id-1-yl)-3-(3-methyl-5-propylphenyl)pyrazine
CID 176875114
2-(2,3-dimethylbenzene-6-id-1-yl)-3,5,7-trimethylquinoline;iridium;2,2,6,6-tetramethylheptane-3,5-diol
CID 58871317
2-(3,5-dimethylbenzene-6-id-1-yl)-5-methylquinoline;iridium;2-methylpentane-2,4-diol
CID 164944944
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;4-(3,5-dimethylbenzene-6-id-1-yl)-7-(2,2-dimethylpropyl)quinazoline;iridium
CID 153484544
bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-propylpyridine);iridium;2,2,6,6-tetramethylheptane-3,5-dione
CID 163321069
3-(3,5-dimethylbenzene-6-id-1-yl)-6-(2,6-dimethylphenyl)-2-(3,5-dimethylphenyl)-4H-pyridin-4-ide;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 166512505
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(3-isocyano-2-methylphenyl)pyrazine;iridium
CID 162454757

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)-7,8-dimethylbenzo[g]quinoxaline;3-(3,5-dimethylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)naphtho[2,3-g]quinoxaline;3-(3,5-dipropylbenzene-6-id-1-yl)-2-(3,5-dipropylphenyl)benzo[g]quinoxaline;tris(iridium);tris(2,2,6,6-tetramethylheptane-3,5-diol)?
The IUPAC name of 3-(3,5-dimethylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)-7,8-dimethylbenzo[g]quinoxaline;3-(3,5-dimethylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)naphtho[2,3-g]quinoxaline;3-(3,5-dipropylbenzene-6-id-1-yl)-2-(3,5-dipropylphenyl)benzo[g]quinoxaline;tris(iridium);tris(2,2,6,6-tetramethylheptane-3,5-diol) (CID 160879029) is 3-(3,5-dimethylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)-7,8-dimethylbenzo[g]quinoxaline;3-(3,5-dimethylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)naphtho[2,3-g]quinoxaline;3-(3,5-dipropylbenzene-6-id-1-yl)-2-(3,5-dipropylphenyl)benzo[g]quinoxaline;tris(iridium);tris(2,2,6,6-tetramethylheptane-3,5-diol).
What is the SMILES notation for 3-(3,5-dimethylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)-7,8-dimethylbenzo[g]quinoxaline;3-(3,5-dimethylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)naphtho[2,3-g]quinoxaline;3-(3,5-dipropylbenzene-6-id-1-yl)-2-(3,5-dipropylphenyl)benzo[g]quinoxaline;tris(iridium);tris(2,2,6,6-tetramethylheptane-3,5-diol)?
The canonical SMILES for 3-(3,5-dimethylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)-7,8-dimethylbenzo[g]quinoxaline;3-(3,5-dimethylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)naphtho[2,3-g]quinoxaline;3-(3,5-dipropylbenzene-6-id-1-yl)-2-(3,5-dipropylphenyl)benzo[g]quinoxaline;tris(iridium);tris(2,2,6,6-tetramethylheptane-3,5-diol) is CC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.CCCc1[c-]c(-c2nc3cc4ccccc4cc3nc2-c2cc(CCC)cc(CCC)c2)cc(CCC)c1.Cc1[c-]c(-c2nc3cc4cc(C)c(C)cc4cc3nc2-c2cc(C)cc(C)c2)cc(C)c1.Cc1[c-]c(-c2nc3cc4cc5ccccc5cc4cc3nc2-c2cc(C)cc(C)c2)cc(C)c1.[Ir].[Ir].[Ir].
What is the InChIKey of 3-(3,5-dimethylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)-7,8-dimethylbenzo[g]quinoxaline;3-(3,5-dimethylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)naphtho[2,3-g]quinoxaline;3-(3,5-dipropylbenzene-6-id-1-yl)-2-(3,5-dipropylphenyl)benzo[g]quinoxaline;tris(iridium);tris(2,2,6,6-tetramethylheptane-3,5-diol)?
The InChIKey is ULKTXCXTCOPEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39N2.C32H25N2.C30H27N2.3C11H24O2.3Ir/c1-5-11-25-17-26(12-6-2)20-31(19-25)35-36(32-21-27(13-7-3)18-28(22-32)14-8-4)38-34-24-30-16-10-9-15-29(30)23-33(34)37-35;1-19-9-20(2)12-27(11-19)31-32(28-13-21(3)10-22(4)14-28)34-30-18-26-16-24-8-6-5-7-23(24)15-25(26)17-29(30)33-31;1-17-7-18(2)10-25(9-17)29-30(26-11-19(3)8-20(4)12-26)32-28-16-24-14-22(6)21(5)13-23(24)15-27(28)31-29;3*1-10(2,3)8(12)7-9(13)11(4,5)6;;;/h9-10,15-21,23-24H,5-8,11-14H2,1-4H3;5-13,15-18H,1-4H3;7-11,13-16H,1-6H3;3*8-9,12-13H,7H2,1-6H3;;;/q3*-1;;;;;;.
What are the key properties of 3-(3,5-dimethylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)-7,8-dimethylbenzo[g]quinoxaline;3-(3,5-dimethylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)naphtho[2,3-g]quinoxaline;3-(3,5-dipropylbenzene-6-id-1-yl)-2-(3,5-dipropylphenyl)benzo[g]quinoxaline;tris(iridium);tris(2,2,6,6-tetramethylheptane-3,5-diol)?
3-(3,5-dimethylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)-7,8-dimethylbenzo[g]quinoxaline;3-(3,5-dimethylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)naphtho[2,3-g]quinoxaline;3-(3,5-dipropylbenzene-6-id-1-yl)-2-(3,5-dipropylphenyl)benzo[g]quinoxaline;tris(iridium);tris(2,2,6,6-tetramethylheptane-3,5-diol) has a molecular weight of 2494.43 g/mol, XLogP of 32.36, 20 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)-7,8-dimethylbenzo[g]quinoxaline;3-(3,5-dimethylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)naphtho[2,3-g]quinoxaline;3-(3,5-dipropylbenzene-6-id-1-yl)-2-(3,5-dipropylphenyl)benzo[g]quinoxaline;tris(iridium);tris(2,2,6,6-tetramethylheptane-3,5-diol) is sourced from PubChem (CID 160879029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).