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

C126H148Ir4N4O8-4 — CID 162285943

IUPAC2,6-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
SMILESCC(C)C(O)=CC(O)C(C)C.CC(C)CC(O)=CC(O)CC(C)C.CC(O)=C(c1ccccc1)C(C)O.CC(O)=CC(C)O.CCc1cccc2nc3c(cc12)CCc1c-3[c-]c(C)cc1C.CCc1cccc2nc3c(cc12)CCc1c-3[c-]c(C)cc1C.CCc1cccc2nc3c(cc12)CCc1c-3[c-]c(C)cc1C.Cc1[c-]c2c(c(C)c1)CCc1cc3c(-c4c(C)cccc4C)cccc3nc1-2.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C27H24N.3C21H20N.C11H14O2.C11H22O2.C9H18O2.C5H10O2.4Ir/c1-16-13-19(4)21-12-11-20-15-23-22(26-17(2)7-5-8-18(26)3)9-6-10-25(23)28-27(20)24(21)14-16;3*1-4-15-6-5-7-20-18(15)12-16-8-9-17-14(3)10-13(2)11-19(17)21(16)22-20;1-8(12)11(9(2)13)10-6-4-3-5-7-10;1-8(2)5-10(12)7-11(13)6-9(3)4;1-6(2)8(10)5-9(11)7(3)4;1-4(6)3-5(2)7;;;;/h5-10,13,15H,11-12H2,1-4H3;3*5-7,10,12H,4,8-9H2,1-3H3;3-8,12-13H,1-2H3;7-10,12-13H,5-6H2,1-4H3;5-8,10-11H,1-4H3;3-4,6-7H,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyKPDGFDCJDFAREF-UHFFFAOYSA-N
MW2615.46 g/mol
LogP29.80
Rot. Bonds15

About 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

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 (PubChem CID 162285943) has the molecular formula C126H148Ir4N4O8-4 and a molecular weight of 2615.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,6-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
PubChem CID162285943
Molecular FormulaC126H148Ir4N4O8-4
Molecular Weight2615.46 g/mol
Exact Mass2616.98
IUPAC Name2,6-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
SMILESCC(C)C(O)=CC(O)C(C)C.CC(C)CC(O)=CC(O)CC(C)C.CC(O)=C(c1ccccc1)C(C)O.CC(O)=CC(C)O.CCc1cccc2nc3c(cc12)CCc1c-3[c-]c(C)cc1C.CCc1cccc2nc3c(cc12)CCc1c-3[c-]c(C)cc1C.CCc1cccc2nc3c(cc12)CCc1c-3[c-]c(C)cc1C.Cc1[c-]c2c(c(C)c1)CCc1cc3c(-c4c(C)cccc4C)cccc3nc1-2.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C27H24N.3C21H20N.C11H14O2.C11H22O2.C9H18O2.C5H10O2.4Ir/c1-16-13-19(4)21-12-11-20-15-23-22(26-17(2)7-5-8-18(26)3)9-6-10-25(23)28-27(20)24(21)14-16;3*1-4-15-6-5-7-20-18(15)12-16-8-9-17-14(3)10-13(2)11-19(17)21(16)22-20;1-8(12)11(9(2)13)10-6-4-3-5-7-10;1-8(2)5-10(12)7-11(13)6-9(3)4;1-6(2)8(10)5-9(11)7(3)4;1-4(6)3-5(2)7;;;;/h5-10,13,15H,11-12H2,1-4H3;3*5-7,10,12H,4,8-9H2,1-3H3;3-8,12-13H,1-2H3;7-10,12-13H,5-6H2,1-4H3;5-8,10-11H,1-4H3;3-4,6-7H,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyKPDGFDCJDFAREF-UHFFFAOYSA-N
XLogP29.80
TPSA213.40 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002615.46
LogP ≤ 529.80
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 2,6-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 with MolForge

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Related Compounds

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
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(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
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
bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);4-hydroxypent-3-en-2-one;tris(iridium);8-(2-methylpropyl)-5,6-dihydro-1H-benzo[c]acridin-1-ide;bis(8-(2-methylpropyl)-1,5-dihydroisochromeno[4,3-b]quinolin-1-ide)
CID 157265217
[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
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
2-(3,5-dimethylbenzene-6-id-1-yl)-5-ethylquinoline;4-hydroxypentan-2-one;iridium
CID 154623395
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)-3-methyl-4-(2-methylpropyl)quinoline;(Z)-6-hydroxy-2,8-dimethylnon-5-en-4-one;iridium
CID 155627691
29-azaheptacyclo[15.12.0.02,14.03,11.04,9.019,28.020,25]nonacosa-1(29),2(14),3(11),4,6,8,12,17,19(28),20,22,24,26-tridecaen-10-one
CID 71813593
2-(3,5-dimethylbenzene-6-id-1-yl)-4-phenylquinoline;(Z)-6-hydroxy-2,8-dimethylnon-5-en-4-one;iridium
CID 155627665

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C(O)=CC(O)C(C)C.CC(C)CC(O)=CC(O)CC(C)C.CC(O)=C(c1ccccc1)C(C)O.CC(O)=CC(C)O.CCc1cccc2nc3c(cc12)CCc1c-3[c-]c(C)cc1C.CCc1cccc2nc3c(cc12)CCc1c-3[c-]c(C)cc1C.CCc1cccc2nc3c(cc12)CCc1c-3[c-]c(C)cc1C.Cc1[c-]c2c(c(C)c1)CCc1cc3c(-c4c(C)cccc4C)cccc3nc1-2.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 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?
The InChIKey is KPDGFDCJDFAREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N.3C21H20N.C11H14O2.C11H22O2.C9H18O2.C5H10O2.4Ir/c1-16-13-19(4)21-12-11-20-15-23-22(26-17(2)7-5-8-18(26)3)9-6-10-25(23)28-27(20)24(21)14-16;3*1-4-15-6-5-7-20-18(15)12-16-8-9-17-14(3)10-13(2)11-19(17)21(16)22-20;1-8(12)11(9(2)13)10-6-4-3-5-7-10;1-8(2)5-10(12)7-11(13)6-9(3)4;1-6(2)8(10)5-9(11)7(3)4;1-4(6)3-5(2)7;;;;/h5-10,13,15H,11-12H2,1-4H3;3*5-7,10,12H,4,8-9H2,1-3H3;3-8,12-13H,1-2H3;7-10,12-13H,5-6H2,1-4H3;5-8,10-11H,1-4H3;3-4,6-7H,1-2H3;;;;/q4*-1;;;;;;;;.
What are the key properties of 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?
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 has a molecular weight of 2615.46 g/mol, XLogP of 29.80, 15 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162285943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).