bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(2,6-dimethyl-8-quinazolin-4-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(2-methyl-8-(7-propan-2-ylquinazolin-4-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide)

C124H128Ir4N12O12-4 — CID 160734612

IUPACbis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(2,6-dimethyl-8-quinazolin-4-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(2-methyl-8-(7-propan-2-ylquinazolin-4-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide)
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2ncnc3ccccc23)c2oc3nc(C)ccc3c2c1.Cc1[c-]c(-c2ncnc3ccccc23)c2oc3nc(C)ccc3c2c1.Cc1ccc2c(n1)oc1c(-c3ncnc4cc(C(C)C)ccc34)[c-]ccc12.Cc1ccc2c(n1)oc1c(-c3ncnc4cc(C(C)C)ccc34)[c-]ccc12.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/2C23H18N3O.2C21H14N3O.2C13H24O2.2C5H8O2.4Ir/c2*1-13(2)15-8-10-18-20(11-15)24-12-25-21(18)19-6-4-5-16-17-9-7-14(3)26-23(17)27-22(16)19;2*1-12-9-16-14-8-7-13(2)24-21(14)25-20(16)17(10-12)19-15-5-3-4-6-18(15)22-11-23-19;2*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;2*1-4(6)3-5(2)7;;;;/h2*4-5,7-13H,1-3H3;2*3-9,11H,1-2H3;2*9-11,14H,5-8H2,1-4H3;2*3,6H,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyFDJVZEUUAIDWRX-UHFFFAOYSA-N
MW2747.33 g/mol
LogP31.47
Rot. Bonds22

About bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(2,6-dimethyl-8-quinazolin-4-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(2-methyl-8-(7-propan-2-ylquinazolin-4-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide)

bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(2,6-dimethyl-8-quinazolin-4-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(2-methyl-8-(7-propan-2-ylquinazolin-4-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide) (PubChem CID 160734612) has the molecular formula C124H128Ir4N12O12-4 and a molecular weight of 2747.33 g/mol. Its IUPAC name is bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(2,6-dimethyl-8-quinazolin-4-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(2-methyl-8-(7-propan-2-ylquinazolin-4-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide).

Molecular Properties

Compound Namebis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(2,6-dimethyl-8-quinazolin-4-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(2-methyl-8-(7-propan-2-ylquinazolin-4-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide)
PubChem CID160734612
Molecular FormulaC124H128Ir4N12O12-4
Molecular Weight2747.33 g/mol
Exact Mass2748.83
IUPAC Namebis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(2,6-dimethyl-8-quinazolin-4-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(2-methyl-8-(7-propan-2-ylquinazolin-4-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide)
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2ncnc3ccccc23)c2oc3nc(C)ccc3c2c1.Cc1[c-]c(-c2ncnc3ccccc23)c2oc3nc(C)ccc3c2c1.Cc1ccc2c(n1)oc1c(-c3ncnc4cc(C(C)C)ccc34)[c-]ccc12.Cc1ccc2c(n1)oc1c(-c3ncnc4cc(C(C)C)ccc34)[c-]ccc12.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/2C23H18N3O.2C21H14N3O.2C13H24O2.2C5H8O2.4Ir/c2*1-13(2)15-8-10-18-20(11-15)24-12-25-21(18)19-6-4-5-16-17-9-7-14(3)26-23(17)27-22(16)19;2*1-12-9-16-14-8-7-13(2)24-21(14)25-20(16)17(10-12)19-15-5-3-4-6-18(15)22-11-23-19;2*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;2*1-4(6)3-5(2)7;;;;/h2*4-5,7-13H,1-3H3;2*3-9,11H,1-2H3;2*9-11,14H,5-8H2,1-4H3;2*3,6H,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyFDJVZEUUAIDWRX-UHFFFAOYSA-N
XLogP31.47
TPSA356.44 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002747.33
LogP ≤ 531.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(2,6-dimethyl-8-quinazolin-4-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(2-methyl-8-(7-propan-2-ylquinazolin-4-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide) with MolForge

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Launch Full Analysis

Related Compounds

bis(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(2,6-dimethyl-8-quinazolin-4-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-methyl-8-quinazolin-4-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 160991209
2,6-dimethyl-8-(7-propan-2-ylquinazolin-4-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-hydroxy-2,8-dimethylnon-5-en-4-one;iridium
CID 149496290
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;2-methyl-8-(2-methylthieno[3,2-c]pyridin-4-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 168829000
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;2-methyl-8-(2-methylthieno[3,2-b]pyridin-5-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 168828905
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;1-(7-methyl-3H-dibenzofuran-3-id-4-yl)-6-propan-2-ylisoquinoline
CID 166026566
7-cyclopentyl-4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-ylquinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;tetrakis(iridium)
CID 161063099
bis((Z)-3,7-diethyl-6-hydroxynon-5-en-4-one);platinum;6-propan-2-yl-2-[6-(6-propan-2-ylquinolin-2-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]quinoline
CID 171419703
8-[2-(1,1-dideuterio-2,2-dimethylpropyl)-3-methylthieno[2,3-c]pyridin-7-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 168828596
8-[2-(1,1-dideuterio-2,2-dimethylpropyl)thieno[3,2-c]pyridin-6-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 168829005
8-[2-(1,1-dideuterio-2,2-dimethylpropyl)thieno[2,3-c]pyridin-7-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 168828954
8-[3-(1,1-dideuterio-2,2-dimethylpropyl)thieno[2,3-c]pyridin-5-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 168828681
tris(3,7-diethyl-6-hydroxy-5-methylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2,6-dimethyl-8-[5-(2-methylpropyl)quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(2,2-dimethylpropyl)quinolin-2-yl]-2,6-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(4-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinazoline);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium)
CID 158663602

Frequently Asked Questions

What is the IUPAC name of bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(2,6-dimethyl-8-quinazolin-4-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(2-methyl-8-(7-propan-2-ylquinazolin-4-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide)?
The IUPAC name of bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(2,6-dimethyl-8-quinazolin-4-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(2-methyl-8-(7-propan-2-ylquinazolin-4-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide) (CID 160734612) is bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(2,6-dimethyl-8-quinazolin-4-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(2-methyl-8-(7-propan-2-ylquinazolin-4-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide).
What is the SMILES notation for bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(2,6-dimethyl-8-quinazolin-4-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(2-methyl-8-(7-propan-2-ylquinazolin-4-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide)?
The canonical SMILES for bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(2,6-dimethyl-8-quinazolin-4-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(2-methyl-8-(7-propan-2-ylquinazolin-4-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide) is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2ncnc3ccccc23)c2oc3nc(C)ccc3c2c1.Cc1[c-]c(-c2ncnc3ccccc23)c2oc3nc(C)ccc3c2c1.Cc1ccc2c(n1)oc1c(-c3ncnc4cc(C(C)C)ccc34)[c-]ccc12.Cc1ccc2c(n1)oc1c(-c3ncnc4cc(C(C)C)ccc34)[c-]ccc12.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(2,6-dimethyl-8-quinazolin-4-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(2-methyl-8-(7-propan-2-ylquinazolin-4-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide)?
The InChIKey is FDJVZEUUAIDWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H18N3O.2C21H14N3O.2C13H24O2.2C5H8O2.4Ir/c2*1-13(2)15-8-10-18-20(11-15)24-12-25-21(18)19-6-4-5-16-17-9-7-14(3)26-23(17)27-22(16)19;2*1-12-9-16-14-8-7-13(2)24-21(14)25-20(16)17(10-12)19-15-5-3-4-6-18(15)22-11-23-19;2*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;2*1-4(6)3-5(2)7;;;;/h2*4-5,7-13H,1-3H3;2*3-9,11H,1-2H3;2*9-11,14H,5-8H2,1-4H3;2*3,6H,1-2H3;;;;/q4*-1;;;;;;;;.
What are the key properties of bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(2,6-dimethyl-8-quinazolin-4-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(2-methyl-8-(7-propan-2-ylquinazolin-4-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide)?
bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(2,6-dimethyl-8-quinazolin-4-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(2-methyl-8-(7-propan-2-ylquinazolin-4-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide) has a molecular weight of 2747.33 g/mol, XLogP of 31.47, 22 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(2,6-dimethyl-8-quinazolin-4-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(2-methyl-8-(7-propan-2-ylquinazolin-4-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide) is sourced from PubChem (CID 160734612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).