bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium;[4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium-1-yl]-trimethylgermane;[4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium-1-yl]-trimethylsilane;4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)-1-phenylbenzo[f]quinolin-4-ium

C156H156GeIr4N4O8S4Si-4 — CID 157088425

IUPACbis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium;[4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium-1-yl]-trimethylgermane;[4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium-1-yl]-trimethylsilane;4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)-1-phenylbenzo[f]quinolin-4-ium
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.[CH2-][n+]1c(-c2[c-]c(C)cc3c2sc2ccccc23)cc(-c2ccccc2)c2c3ccccc3ccc21.[CH2-][n+]1c(-c2[c-]c(C)cc3c2sc2ccccc23)cc([Ge](C)(C)C)c2c3ccccc3ccc21.[CH2-][n+]1c(-c2[c-]c(C)cc3c2sc2ccccc23)cc([Si](C)(C)C)c2c3ccccc3ccc21.[CH2-][n+]1c(-c2[c-]c(C)cc3c2sc2ccccc23)ccc2c3ccccc3ccc21.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C33H22NS.C30H26GeNS.C30H26NSSi.C27H18NS.2C13H24O2.2C5H8O2.4Ir/c1-21-18-27-25-14-8-9-15-31(25)35-33(27)28(19-21)30-20-26(22-10-4-3-5-11-22)32-24-13-7-6-12-23(24)16-17-29(32)34(30)2;1-19-16-23-22-12-8-9-13-28(22)33-30(23)24(17-19)27-18-25(31(2,3)4)29-21-11-7-6-10-20(21)14-15-26(29)32(27)5;1-19-16-23-22-12-8-9-13-27(22)32-30(23)24(17-19)26-18-28(33(3,4)5)29-21-11-7-6-10-20(21)14-15-25(29)31(26)2;1-17-15-22-21-9-5-6-10-26(21)29-27(22)23(16-17)25-14-12-20-19-8-4-3-7-18(19)11-13-24(20)28(25)2;2*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;2*1-4(6)3-5(2)7;;;;/h3-18,20H,2H2,1H3;6-16,18H,5H2,1-4H3;6-16,18H,2H2,1,3-5H3;3-15H,2H2,1H3;2*9-11,14H,5-8H2,1-4H3;2*3,6H,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyUIPGYUYQDGCWJD-UHFFFAOYSA-N
MW3212.82 g/mol
LogP40.82
Rot. Bonds23

About bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium;[4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium-1-yl]-trimethylgermane;[4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium-1-yl]-trimethylsilane;4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)-1-phenylbenzo[f]quinolin-4-ium

bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium;[4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium-1-yl]-trimethylgermane;[4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium-1-yl]-trimethylsilane;4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)-1-phenylbenzo[f]quinolin-4-ium (PubChem CID 157088425) has the molecular formula C156H156GeIr4N4O8S4Si-4 and a molecular weight of 3212.82 g/mol. Its IUPAC name is bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium;[4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium-1-yl]-trimethylgermane;[4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium-1-yl]-trimethylsilane;4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)-1-phenylbenzo[f]quinolin-4-ium.

Molecular Properties

Compound Namebis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium;[4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium-1-yl]-trimethylgermane;[4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium-1-yl]-trimethylsilane;4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)-1-phenylbenzo[f]quinolin-4-ium
PubChem CID157088425
Molecular FormulaC156H156GeIr4N4O8S4Si-4
Molecular Weight3212.82 g/mol
Exact Mass3214.83
IUPAC Namebis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium;[4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium-1-yl]-trimethylgermane;[4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium-1-yl]-trimethylsilane;4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)-1-phenylbenzo[f]quinolin-4-ium
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.[CH2-][n+]1c(-c2[c-]c(C)cc3c2sc2ccccc23)cc(-c2ccccc2)c2c3ccccc3ccc21.[CH2-][n+]1c(-c2[c-]c(C)cc3c2sc2ccccc23)cc([Ge](C)(C)C)c2c3ccccc3ccc21.[CH2-][n+]1c(-c2[c-]c(C)cc3c2sc2ccccc23)cc([Si](C)(C)C)c2c3ccccc3ccc21.[CH2-][n+]1c(-c2[c-]c(C)cc3c2sc2ccccc23)ccc2c3ccccc3ccc21.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C33H22NS.C30H26GeNS.C30H26NSSi.C27H18NS.2C13H24O2.2C5H8O2.4Ir/c1-21-18-27-25-14-8-9-15-31(25)35-33(27)28(19-21)30-20-26(22-10-4-3-5-11-22)32-24-13-7-6-12-23(24)16-17-29(32)34(30)2;1-19-16-23-22-12-8-9-13-28(22)33-30(23)24(17-19)27-18-25(31(2,3)4)29-21-11-7-6-10-20(21)14-15-26(29)32(27)5;1-19-16-23-22-12-8-9-13-27(22)32-30(23)24(17-19)26-18-28(33(3,4)5)29-21-11-7-6-10-20(21)14-15-25(29)31(26)2;1-17-15-22-21-9-5-6-10-26(21)29-27(22)23(16-17)25-14-12-20-19-8-4-3-7-18(19)11-13-24(20)28(25)2;2*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;2*1-4(6)3-5(2)7;;;;/h3-18,20H,2H2,1H3;6-16,18H,5H2,1-4H3;6-16,18H,2H2,1,3-5H3;3-15H,2H2,1H3;2*9-11,14H,5-8H2,1-4H3;2*3,6H,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyUIPGYUYQDGCWJD-UHFFFAOYSA-N
XLogP40.82
TPSA164.72 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds23
Heavy Atoms178
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003212.82
LogP ≤ 540.82
H-Bond Donors ≤ 54
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'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium;[4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium-1-yl]-trimethylgermane;[4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium-1-yl]-trimethylsilane;4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)-1-phenylbenzo[f]quinolin-4-ium with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium;[4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium-1-yl]-trimethylgermane;[4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium-1-yl]-trimethylsilane;4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)-1-phenylbenzo[f]quinolin-4-ium?
The IUPAC name of bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium;[4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium-1-yl]-trimethylgermane;[4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium-1-yl]-trimethylsilane;4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)-1-phenylbenzo[f]quinolin-4-ium (CID 157088425) is bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium;[4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium-1-yl]-trimethylgermane;[4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium-1-yl]-trimethylsilane;4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)-1-phenylbenzo[f]quinolin-4-ium.
What is the SMILES notation for bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium;[4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium-1-yl]-trimethylgermane;[4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium-1-yl]-trimethylsilane;4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)-1-phenylbenzo[f]quinolin-4-ium?
The canonical SMILES for bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium;[4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium-1-yl]-trimethylgermane;[4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium-1-yl]-trimethylsilane;4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)-1-phenylbenzo[f]quinolin-4-ium 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.[CH2-][n+]1c(-c2[c-]c(C)cc3c2sc2ccccc23)cc(-c2ccccc2)c2c3ccccc3ccc21.[CH2-][n+]1c(-c2[c-]c(C)cc3c2sc2ccccc23)cc([Ge](C)(C)C)c2c3ccccc3ccc21.[CH2-][n+]1c(-c2[c-]c(C)cc3c2sc2ccccc23)cc([Si](C)(C)C)c2c3ccccc3ccc21.[CH2-][n+]1c(-c2[c-]c(C)cc3c2sc2ccccc23)ccc2c3ccccc3ccc21.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium;[4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium-1-yl]-trimethylgermane;[4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium-1-yl]-trimethylsilane;4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)-1-phenylbenzo[f]quinolin-4-ium?
The InChIKey is UIPGYUYQDGCWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22NS.C30H26GeNS.C30H26NSSi.C27H18NS.2C13H24O2.2C5H8O2.4Ir/c1-21-18-27-25-14-8-9-15-31(25)35-33(27)28(19-21)30-20-26(22-10-4-3-5-11-22)32-24-13-7-6-12-23(24)16-17-29(32)34(30)2;1-19-16-23-22-12-8-9-13-28(22)33-30(23)24(17-19)27-18-25(31(2,3)4)29-21-11-7-6-10-20(21)14-15-26(29)32(27)5;1-19-16-23-22-12-8-9-13-27(22)32-30(23)24(17-19)26-18-28(33(3,4)5)29-21-11-7-6-10-20(21)14-15-25(29)31(26)2;1-17-15-22-21-9-5-6-10-26(21)29-27(22)23(16-17)25-14-12-20-19-8-4-3-7-18(19)11-13-24(20)28(25)2;2*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;2*1-4(6)3-5(2)7;;;;/h3-18,20H,2H2,1H3;6-16,18H,5H2,1-4H3;6-16,18H,2H2,1,3-5H3;3-15H,2H2,1H3;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(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium;[4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium-1-yl]-trimethylgermane;[4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium-1-yl]-trimethylsilane;4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)-1-phenylbenzo[f]quinolin-4-ium?
bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium;[4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium-1-yl]-trimethylgermane;[4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium-1-yl]-trimethylsilane;4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)-1-phenylbenzo[f]quinolin-4-ium has a molecular weight of 3212.82 g/mol, XLogP of 40.82, 23 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium;[4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium-1-yl]-trimethylgermane;[4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium-1-yl]-trimethylsilane;4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)-1-phenylbenzo[f]quinolin-4-ium is sourced from PubChem (CID 157088425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).