7-cyclopentyl-4-(3H-dibenzothiophen-3-id-4-yl)quinazoline;4-(3H-dibenzothiophen-3-id-4-yl)-7-(2-methylpropyl)quinazoline;[4-(3H-dibenzothiophen-3-id-4-yl)quinazolin-7-yl]-trimethylgermane;[4-(3H-dibenzothiophen-3-id-4-yl)quinazolin-7-yl]-trimethylsilane;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium)

C139H156GeIr4N8O8S4Si-4 — CID 159836131

IUPAC7-cyclopentyl-4-(3H-dibenzothiophen-3-id-4-yl)quinazoline;4-(3H-dibenzothiophen-3-id-4-yl)-7-(2-methylpropyl)quinazoline;[4-(3H-dibenzothiophen-3-id-4-yl)quinazolin-7-yl]-trimethylgermane;[4-(3H-dibenzothiophen-3-id-4-yl)quinazolin-7-yl]-trimethylsilane;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium)
SMILESCC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)Cc1ccc2c(-c3[c-]ccc4c3sc3ccccc34)ncnc2c1.C[Ge](C)(C)c1ccc2c(-c3[c-]ccc4c3sc3ccccc34)ncnc2c1.C[Si](C)(C)c1ccc2c(-c3[c-]ccc4c3sc3ccccc34)ncnc2c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(sc3ccccc32)c1-c1ncnc2cc(C3CCCC3)ccc12
InChIInChI=1S/C25H19N2S.C24H19N2S.C23H19GeN2S.C23H19N2SSi.4C11H20O2.4Ir/c1-2-7-16(6-1)17-12-13-20-22(14-17)26-15-27-24(20)21-10-5-9-19-18-8-3-4-11-23(18)28-25(19)21;1-15(2)12-16-10-11-19-21(13-16)25-14-26-23(19)20-8-5-7-18-17-6-3-4-9-22(17)27-24(18)20;1-24(2,3)15-11-12-18-20(13-15)25-14-26-22(18)19-9-6-8-17-16-7-4-5-10-21(16)27-23(17)19;1-27(2,3)15-11-12-18-20(13-15)24-14-25-22(18)19-9-6-8-17-16-7-4-5-10-21(16)26-23(17)19;4*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;/h3-5,8-9,11-16H,1-2,6-7H2;3-7,9-11,13-15H,12H2,1-2H3;2*4-8,10-14H,1-3H3;4*7,12H,1-6H3;;;;/q4*-1;;;;;;;;
InChIKeyDLPQXSIYWJACHB-UHFFFAOYSA-N
MW3064.66 g/mol
LogP38.15
Rot. Bonds13

About 7-cyclopentyl-4-(3H-dibenzothiophen-3-id-4-yl)quinazoline;4-(3H-dibenzothiophen-3-id-4-yl)-7-(2-methylpropyl)quinazoline;[4-(3H-dibenzothiophen-3-id-4-yl)quinazolin-7-yl]-trimethylgermane;[4-(3H-dibenzothiophen-3-id-4-yl)quinazolin-7-yl]-trimethylsilane;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium)

7-cyclopentyl-4-(3H-dibenzothiophen-3-id-4-yl)quinazoline;4-(3H-dibenzothiophen-3-id-4-yl)-7-(2-methylpropyl)quinazoline;[4-(3H-dibenzothiophen-3-id-4-yl)quinazolin-7-yl]-trimethylgermane;[4-(3H-dibenzothiophen-3-id-4-yl)quinazolin-7-yl]-trimethylsilane;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium) (PubChem CID 159836131) has the molecular formula C139H156GeIr4N8O8S4Si-4 and a molecular weight of 3064.66 g/mol. Its IUPAC name is 7-cyclopentyl-4-(3H-dibenzothiophen-3-id-4-yl)quinazoline;4-(3H-dibenzothiophen-3-id-4-yl)-7-(2-methylpropyl)quinazoline;[4-(3H-dibenzothiophen-3-id-4-yl)quinazolin-7-yl]-trimethylgermane;[4-(3H-dibenzothiophen-3-id-4-yl)quinazolin-7-yl]-trimethylsilane;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium).

Molecular Properties

Compound Name7-cyclopentyl-4-(3H-dibenzothiophen-3-id-4-yl)quinazoline;4-(3H-dibenzothiophen-3-id-4-yl)-7-(2-methylpropyl)quinazoline;[4-(3H-dibenzothiophen-3-id-4-yl)quinazolin-7-yl]-trimethylgermane;[4-(3H-dibenzothiophen-3-id-4-yl)quinazolin-7-yl]-trimethylsilane;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium)
PubChem CID159836131
Molecular FormulaC139H156GeIr4N8O8S4Si-4
Molecular Weight3064.66 g/mol
Exact Mass3066.84
IUPAC Name7-cyclopentyl-4-(3H-dibenzothiophen-3-id-4-yl)quinazoline;4-(3H-dibenzothiophen-3-id-4-yl)-7-(2-methylpropyl)quinazoline;[4-(3H-dibenzothiophen-3-id-4-yl)quinazolin-7-yl]-trimethylgermane;[4-(3H-dibenzothiophen-3-id-4-yl)quinazolin-7-yl]-trimethylsilane;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium)
SMILESCC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)Cc1ccc2c(-c3[c-]ccc4c3sc3ccccc34)ncnc2c1.C[Ge](C)(C)c1ccc2c(-c3[c-]ccc4c3sc3ccccc34)ncnc2c1.C[Si](C)(C)c1ccc2c(-c3[c-]ccc4c3sc3ccccc34)ncnc2c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(sc3ccccc32)c1-c1ncnc2cc(C3CCCC3)ccc12
InChIInChI=1S/C25H19N2S.C24H19N2S.C23H19GeN2S.C23H19N2SSi.4C11H20O2.4Ir/c1-2-7-16(6-1)17-12-13-20-22(14-17)26-15-27-24(20)21-10-5-9-19-18-8-3-4-11-23(18)28-25(19)21;1-15(2)12-16-10-11-19-21(13-16)25-14-26-23(19)20-8-5-7-18-17-6-3-4-9-22(17)27-24(18)20;1-24(2,3)15-11-12-18-20(13-15)25-14-26-22(18)19-9-6-8-17-16-7-4-5-10-21(16)27-23(17)19;1-27(2,3)15-11-12-18-20(13-15)24-14-25-22(18)19-9-6-8-17-16-7-4-5-10-21(16)26-23(17)19;4*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;/h3-5,8-9,11-16H,1-2,6-7H2;3-7,9-11,13-15H,12H2,1-2H3;2*4-8,10-14H,1-3H3;4*7,12H,1-6H3;;;;/q4*-1;;;;;;;;
InChIKeyDLPQXSIYWJACHB-UHFFFAOYSA-N
XLogP38.15
TPSA252.32 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds13
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003064.66
LogP ≤ 538.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

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'}

Analyze 7-cyclopentyl-4-(3H-dibenzothiophen-3-id-4-yl)quinazoline;4-(3H-dibenzothiophen-3-id-4-yl)-7-(2-methylpropyl)quinazoline;[4-(3H-dibenzothiophen-3-id-4-yl)quinazolin-7-yl]-trimethylgermane;[4-(3H-dibenzothiophen-3-id-4-yl)quinazolin-7-yl]-trimethylsilane;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium) with MolForge

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Related Compounds

7-cyclopentyl-4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazoline;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium);7-(2-methylpropyl)-4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazoline;trimethyl-[4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]silane
CID 162249942
4-(3H-dibenzofuran-3-id-4-yl)-7-(2-methylpropyl)quinazoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;iridium
CID 157364437
(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;6-(6-propan-2-yl-2H-naphthalen-2-id-1-yl)-[1]benzothiolo[2,3-c]quinoline
CID 167354924
[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;iridium;2-phenyl-5-propan-2-ylpyridine
CID 155608345
[6-(4-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;iridium;2-phenyl-5-propan-2-ylpyridine
CID 155608738
1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridine;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 154599323
7-tert-butyl-4-(2H-naphthalen-2-id-1-yl)quinazoline;1,3-dicyclohexyl-3-hydroxyprop-2-en-1-one;iridium;methane
CID 158538582
[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine)
CID 158236370
4-(4-cyclohexylbenzene-6-id-1-yl)-10-(2-methylpropyl)benzo[h]quinazoline;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 162692684
trimethyl-[4-(2-methyldibenzothiophen-4-yl)quinazolin-7-yl]silane
CID 157228108
4-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinazoline;iridium;(Z)-6,6,6-trifluoro-5-hydroxy-2-methylhex-4-en-3-one
CID 153484534
4-(4-tert-butylbenzene-6-id-1-yl)-10-methylbenzo[h]quinazoline;4-(4-cyclohexylbenzene-6-id-1-yl)-10-(2-methylpropyl)benzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);8,10-di(propan-2-yl)-4-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)benzo[h]quinazoline;tetrakis(iridium);4-(4-methylbenzene-6-id-1-yl)benzo[h]quinazoline
CID 163477740

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-4-(3H-dibenzothiophen-3-id-4-yl)quinazoline;4-(3H-dibenzothiophen-3-id-4-yl)-7-(2-methylpropyl)quinazoline;[4-(3H-dibenzothiophen-3-id-4-yl)quinazolin-7-yl]-trimethylgermane;[4-(3H-dibenzothiophen-3-id-4-yl)quinazolin-7-yl]-trimethylsilane;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium)?
The IUPAC name of 7-cyclopentyl-4-(3H-dibenzothiophen-3-id-4-yl)quinazoline;4-(3H-dibenzothiophen-3-id-4-yl)-7-(2-methylpropyl)quinazoline;[4-(3H-dibenzothiophen-3-id-4-yl)quinazolin-7-yl]-trimethylgermane;[4-(3H-dibenzothiophen-3-id-4-yl)quinazolin-7-yl]-trimethylsilane;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium) (CID 159836131) is 7-cyclopentyl-4-(3H-dibenzothiophen-3-id-4-yl)quinazoline;4-(3H-dibenzothiophen-3-id-4-yl)-7-(2-methylpropyl)quinazoline;[4-(3H-dibenzothiophen-3-id-4-yl)quinazolin-7-yl]-trimethylgermane;[4-(3H-dibenzothiophen-3-id-4-yl)quinazolin-7-yl]-trimethylsilane;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium).
What is the SMILES notation for 7-cyclopentyl-4-(3H-dibenzothiophen-3-id-4-yl)quinazoline;4-(3H-dibenzothiophen-3-id-4-yl)-7-(2-methylpropyl)quinazoline;[4-(3H-dibenzothiophen-3-id-4-yl)quinazolin-7-yl]-trimethylgermane;[4-(3H-dibenzothiophen-3-id-4-yl)quinazolin-7-yl]-trimethylsilane;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium)?
The canonical SMILES for 7-cyclopentyl-4-(3H-dibenzothiophen-3-id-4-yl)quinazoline;4-(3H-dibenzothiophen-3-id-4-yl)-7-(2-methylpropyl)quinazoline;[4-(3H-dibenzothiophen-3-id-4-yl)quinazolin-7-yl]-trimethylgermane;[4-(3H-dibenzothiophen-3-id-4-yl)quinazolin-7-yl]-trimethylsilane;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium) is CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)Cc1ccc2c(-c3[c-]ccc4c3sc3ccccc34)ncnc2c1.C[Ge](C)(C)c1ccc2c(-c3[c-]ccc4c3sc3ccccc34)ncnc2c1.C[Si](C)(C)c1ccc2c(-c3[c-]ccc4c3sc3ccccc34)ncnc2c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(sc3ccccc32)c1-c1ncnc2cc(C3CCCC3)ccc12.
What is the InChIKey of 7-cyclopentyl-4-(3H-dibenzothiophen-3-id-4-yl)quinazoline;4-(3H-dibenzothiophen-3-id-4-yl)-7-(2-methylpropyl)quinazoline;[4-(3H-dibenzothiophen-3-id-4-yl)quinazolin-7-yl]-trimethylgermane;[4-(3H-dibenzothiophen-3-id-4-yl)quinazolin-7-yl]-trimethylsilane;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium)?
The InChIKey is DLPQXSIYWJACHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N2S.C24H19N2S.C23H19GeN2S.C23H19N2SSi.4C11H20O2.4Ir/c1-2-7-16(6-1)17-12-13-20-22(14-17)26-15-27-24(20)21-10-5-9-19-18-8-3-4-11-23(18)28-25(19)21;1-15(2)12-16-10-11-19-21(13-16)25-14-26-23(19)20-8-5-7-18-17-6-3-4-9-22(17)27-24(18)20;1-24(2,3)15-11-12-18-20(13-15)25-14-26-22(18)19-9-6-8-17-16-7-4-5-10-21(16)27-23(17)19;1-27(2,3)15-11-12-18-20(13-15)24-14-25-22(18)19-9-6-8-17-16-7-4-5-10-21(16)26-23(17)19;4*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;/h3-5,8-9,11-16H,1-2,6-7H2;3-7,9-11,13-15H,12H2,1-2H3;2*4-8,10-14H,1-3H3;4*7,12H,1-6H3;;;;/q4*-1;;;;;;;;.
What are the key properties of 7-cyclopentyl-4-(3H-dibenzothiophen-3-id-4-yl)quinazoline;4-(3H-dibenzothiophen-3-id-4-yl)-7-(2-methylpropyl)quinazoline;[4-(3H-dibenzothiophen-3-id-4-yl)quinazolin-7-yl]-trimethylgermane;[4-(3H-dibenzothiophen-3-id-4-yl)quinazolin-7-yl]-trimethylsilane;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium)?
7-cyclopentyl-4-(3H-dibenzothiophen-3-id-4-yl)quinazoline;4-(3H-dibenzothiophen-3-id-4-yl)-7-(2-methylpropyl)quinazoline;[4-(3H-dibenzothiophen-3-id-4-yl)quinazolin-7-yl]-trimethylgermane;[4-(3H-dibenzothiophen-3-id-4-yl)quinazolin-7-yl]-trimethylsilane;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium) has a molecular weight of 3064.66 g/mol, XLogP of 38.15, 13 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-4-(3H-dibenzothiophen-3-id-4-yl)quinazoline;4-(3H-dibenzothiophen-3-id-4-yl)-7-(2-methylpropyl)quinazoline;[4-(3H-dibenzothiophen-3-id-4-yl)quinazolin-7-yl]-trimethylgermane;[4-(3H-dibenzothiophen-3-id-4-yl)quinazolin-7-yl]-trimethylsilane;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium) is sourced from PubChem (CID 159836131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).