4-(3H-1-benzothiophen-3-id-2-yl)-10-fluorobenzo[g]quinazoline;4-(3H-1-benzothiophen-3-id-2-yl)-5-fluoro-10-(trifluoromethyl)benzo[g]quinazoline;4-(3H-1-benzothiophen-3-id-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-fluoro-10-(trifluoromethyl)benzo[g]quinazoline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)

C141H144F12Ir4N8O8S3-4 — CID 158429736

IUPAC4-(3H-1-benzothiophen-3-id-2-yl)-10-fluorobenzo[g]quinazoline;4-(3H-1-benzothiophen-3-id-2-yl)-5-fluoro-10-(trifluoromethyl)benzo[g]quinazoline;4-(3H-1-benzothiophen-3-id-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-fluoro-10-(trifluoromethyl)benzo[g]quinazoline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)
SMILESCC(C)(C)c1cc(-c2ncnc3c(C(F)(F)F)c4ccccc4c(F)c23)[c-]c2ccccc12.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.FC(F)(F)c1c2ccccc2cc2c(-c3[c-]c4ccccc4s3)ncnc12.Fc1c2ccccc2c(C(F)(F)F)c2ncnc(-c3[c-]c4ccccc4s3)c12.Fc1c2ccccc2cc2c(-c3[c-]c4ccccc4s3)ncnc12.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C27H19F4N2.C21H9F4N2S.C21H10F3N2S.C20H10FN2S.4C13H24O2.4Ir/c1-26(2,3)20-13-16(12-15-8-4-5-9-17(15)20)24-21-23(28)19-11-7-6-10-18(19)22(27(29,30)31)25(21)33-14-32-24;22-18-13-7-3-2-6-12(13)17(21(23,24)25)20-16(18)19(26-10-27-20)15-9-11-5-1-4-8-14(11)28-15;22-21(23,24)18-14-7-3-1-5-12(14)9-15-19(25-11-26-20(15)18)17-10-13-6-2-4-8-16(13)27-17;21-18-14-7-3-1-5-12(14)9-15-19(22-11-23-20(15)18)17-10-13-6-2-4-8-16(13)24-17;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h4-11,13-14H,1-3H3;1-8,10H;1-9,11H;1-9,11H;4*9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;
InChIKeyXIZHHLJAIBEMLP-UHFFFAOYSA-N
MW3171.80 g/mol
LogP42.04
Rot. Bonds32

About 4-(3H-1-benzothiophen-3-id-2-yl)-10-fluorobenzo[g]quinazoline;4-(3H-1-benzothiophen-3-id-2-yl)-5-fluoro-10-(trifluoromethyl)benzo[g]quinazoline;4-(3H-1-benzothiophen-3-id-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-fluoro-10-(trifluoromethyl)benzo[g]quinazoline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)

4-(3H-1-benzothiophen-3-id-2-yl)-10-fluorobenzo[g]quinazoline;4-(3H-1-benzothiophen-3-id-2-yl)-5-fluoro-10-(trifluoromethyl)benzo[g]quinazoline;4-(3H-1-benzothiophen-3-id-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-fluoro-10-(trifluoromethyl)benzo[g]quinazoline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) (PubChem CID 158429736) has the molecular formula C141H144F12Ir4N8O8S3-4 and a molecular weight of 3171.80 g/mol. Its IUPAC name is 4-(3H-1-benzothiophen-3-id-2-yl)-10-fluorobenzo[g]quinazoline;4-(3H-1-benzothiophen-3-id-2-yl)-5-fluoro-10-(trifluoromethyl)benzo[g]quinazoline;4-(3H-1-benzothiophen-3-id-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-fluoro-10-(trifluoromethyl)benzo[g]quinazoline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium).

Molecular Properties

Compound Name4-(3H-1-benzothiophen-3-id-2-yl)-10-fluorobenzo[g]quinazoline;4-(3H-1-benzothiophen-3-id-2-yl)-5-fluoro-10-(trifluoromethyl)benzo[g]quinazoline;4-(3H-1-benzothiophen-3-id-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-fluoro-10-(trifluoromethyl)benzo[g]quinazoline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)
PubChem CID158429736
Molecular FormulaC141H144F12Ir4N8O8S3-4
Molecular Weight3171.80 g/mol
Exact Mass3172.86
IUPAC Name4-(3H-1-benzothiophen-3-id-2-yl)-10-fluorobenzo[g]quinazoline;4-(3H-1-benzothiophen-3-id-2-yl)-5-fluoro-10-(trifluoromethyl)benzo[g]quinazoline;4-(3H-1-benzothiophen-3-id-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-fluoro-10-(trifluoromethyl)benzo[g]quinazoline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)
SMILESCC(C)(C)c1cc(-c2ncnc3c(C(F)(F)F)c4ccccc4c(F)c23)[c-]c2ccccc12.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.FC(F)(F)c1c2ccccc2cc2c(-c3[c-]c4ccccc4s3)ncnc12.Fc1c2ccccc2c(C(F)(F)F)c2ncnc(-c3[c-]c4ccccc4s3)c12.Fc1c2ccccc2cc2c(-c3[c-]c4ccccc4s3)ncnc12.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C27H19F4N2.C21H9F4N2S.C21H10F3N2S.C20H10FN2S.4C13H24O2.4Ir/c1-26(2,3)20-13-16(12-15-8-4-5-9-17(15)20)24-21-23(28)19-11-7-6-10-18(19)22(27(29,30)31)25(21)33-14-32-24;22-18-13-7-3-2-6-12(13)17(21(23,24)25)20-16(18)19(26-10-27-20)15-9-11-5-1-4-8-14(11)28-15;22-21(23,24)18-14-7-3-1-5-12(14)9-15-19(25-11-26-20(15)18)17-10-13-6-2-4-8-16(13)27-17;21-18-14-7-3-1-5-12(14)9-15-19(22-11-23-20(15)18)17-10-13-6-2-4-8-16(13)24-17;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h4-11,13-14H,1-3H3;1-8,10H;1-9,11H;1-9,11H;4*9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;
InChIKeyXIZHHLJAIBEMLP-UHFFFAOYSA-N
XLogP42.04
TPSA252.32 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds32
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003171.80
LogP ≤ 542.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 4-(3H-1-benzothiophen-3-id-2-yl)-10-fluorobenzo[g]quinazoline;4-(3H-1-benzothiophen-3-id-2-yl)-5-fluoro-10-(trifluoromethyl)benzo[g]quinazoline;4-(3H-1-benzothiophen-3-id-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-fluoro-10-(trifluoromethyl)benzo[g]quinazoline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) with MolForge

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Related Compounds

4-(3H-1-benzothiophen-3-id-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 155760213
4-(3H-1-benzothiophen-3-id-2-yl)-5-fluoro-7,10-bis(trifluoromethyl)benzo[g]quinazoline;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 155760214
4-(3H-1-benzothiophen-3-id-2-yl)-5-fluoro-10-(trifluoromethyl)benzo[g]quinazoline;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 155760216
4-(3H-1-benzothiophen-3-id-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 155760245
4-(3H-1-benzothiophen-3-id-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155760252
4-(3H-1-benzothiophen-3-id-2-yl)-7,10-bis(trifluoromethyl)benzo[g]quinazoline;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 155760288
4-(3H-1-benzothiophen-3-id-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline;(Z)-6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;iridium
CID 155760303
7-(3H-1-benzothiophen-3-id-2-yl)-2,3-bis(trifluoromethyl)-6-(2,4,6-trimethylphenyl)pyrazino[2,3-b]pyrazine;6-(3H-1-benzothiophen-3-id-2-yl)-7-methyl-2,3-bis(trideuteriomethyl)pyrazino[2,3-b]pyrazine;2-(3H-1-benzothiophen-3-id-2-yl)-7-methyl-4-(trideuteriomethyl)-6-(trifluoromethyl)pteridine;2-(3H-1-benzothiophen-3-id-2-yl)-4-(trideuteriomethyl)benzo[g]pteridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)
CID 157425803
bis(4-(3H-1-benzothiophen-3-id-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline);4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-10-fluorobenzo[g]quinazoline;tris(3,7-diethylnonane-4,6-dione);tris(iridium(3+));bis(1-methyl-3-phenyl-2H-benzimidazol-1-ium-2-ide);1-methyl-3-phenyl-2H-imidazol-1-ium-2-ide
CID 157610437
2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4,4-dimethylcyclohexyl)-5,7-dimethylquinoline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-6-(3,3,3-trifluoropropyl)thieno[3,2-d]pyrimidine;6-cyclopentyl-1-[4-(4,4-dimethylcyclohexyl)-1H-naphthalen-1-id-2-yl]isoquinoline;3,7-diethyl-6-hydroxy-3-(trifluoromethyl)non-5-en-4-one;1-(4,4-dimethylcyclohexyl)-5,5,5-trifluoro-1-hydroxy-4,4-dimethylpent-1-en-3-one;3-ethyl-6-hydroxy-7-methyl-3-(trifluoromethyl)oct-5-en-4-one;6-ethyl-1,1,1-trifluoro-5-hydroxy-2,2,6-trimethyloct-4-en-3-one;tetrakis(iridium)
CID 157741917
2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4,4-dimethylcyclohexyl)-5,7-dimethylquinoline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-6-propylthieno[3,2-d]pyrimidine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4,5,7-trimethylquinoline;tetrakis(iridium);bis(1,1,1-trifluoro-5-hydroxy-2,2,6-trimethylhept-4-en-3-one);bis(7,7,7-trifluoro-5-hydroxy-2,6,6-trimethylhept-4-en-3-one)
CID 158410159
3,7-Diethyl-6-hydroxy-5-methylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);7-(2,2-dimethylpropyl)-4-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)quinazoline;6-ethyl-5-hydroxy-2-methyloct-4-en-3-one;tris(4-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinazoline);4-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazoline;pentakis(iridium);6,6,6-trifluoro-5-hydroxy-2-methylhex-4-en-3-one
CID 158500632

Frequently Asked Questions

What is the IUPAC name of 4-(3H-1-benzothiophen-3-id-2-yl)-10-fluorobenzo[g]quinazoline;4-(3H-1-benzothiophen-3-id-2-yl)-5-fluoro-10-(trifluoromethyl)benzo[g]quinazoline;4-(3H-1-benzothiophen-3-id-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-fluoro-10-(trifluoromethyl)benzo[g]quinazoline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)?
The IUPAC name of 4-(3H-1-benzothiophen-3-id-2-yl)-10-fluorobenzo[g]quinazoline;4-(3H-1-benzothiophen-3-id-2-yl)-5-fluoro-10-(trifluoromethyl)benzo[g]quinazoline;4-(3H-1-benzothiophen-3-id-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-fluoro-10-(trifluoromethyl)benzo[g]quinazoline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) (CID 158429736) is 4-(3H-1-benzothiophen-3-id-2-yl)-10-fluorobenzo[g]quinazoline;4-(3H-1-benzothiophen-3-id-2-yl)-5-fluoro-10-(trifluoromethyl)benzo[g]quinazoline;4-(3H-1-benzothiophen-3-id-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-fluoro-10-(trifluoromethyl)benzo[g]quinazoline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium).
What is the SMILES notation for 4-(3H-1-benzothiophen-3-id-2-yl)-10-fluorobenzo[g]quinazoline;4-(3H-1-benzothiophen-3-id-2-yl)-5-fluoro-10-(trifluoromethyl)benzo[g]quinazoline;4-(3H-1-benzothiophen-3-id-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-fluoro-10-(trifluoromethyl)benzo[g]quinazoline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)?
The canonical SMILES for 4-(3H-1-benzothiophen-3-id-2-yl)-10-fluorobenzo[g]quinazoline;4-(3H-1-benzothiophen-3-id-2-yl)-5-fluoro-10-(trifluoromethyl)benzo[g]quinazoline;4-(3H-1-benzothiophen-3-id-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-fluoro-10-(trifluoromethyl)benzo[g]quinazoline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) is CC(C)(C)c1cc(-c2ncnc3c(C(F)(F)F)c4ccccc4c(F)c23)[c-]c2ccccc12.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.FC(F)(F)c1c2ccccc2cc2c(-c3[c-]c4ccccc4s3)ncnc12.Fc1c2ccccc2c(C(F)(F)F)c2ncnc(-c3[c-]c4ccccc4s3)c12.Fc1c2ccccc2cc2c(-c3[c-]c4ccccc4s3)ncnc12.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 4-(3H-1-benzothiophen-3-id-2-yl)-10-fluorobenzo[g]quinazoline;4-(3H-1-benzothiophen-3-id-2-yl)-5-fluoro-10-(trifluoromethyl)benzo[g]quinazoline;4-(3H-1-benzothiophen-3-id-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-fluoro-10-(trifluoromethyl)benzo[g]quinazoline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)?
The InChIKey is XIZHHLJAIBEMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F4N2.C21H9F4N2S.C21H10F3N2S.C20H10FN2S.4C13H24O2.4Ir/c1-26(2,3)20-13-16(12-15-8-4-5-9-17(15)20)24-21-23(28)19-11-7-6-10-18(19)22(27(29,30)31)25(21)33-14-32-24;22-18-13-7-3-2-6-12(13)17(21(23,24)25)20-16(18)19(26-10-27-20)15-9-11-5-1-4-8-14(11)28-15;22-21(23,24)18-14-7-3-1-5-12(14)9-15-19(25-11-26-20(15)18)17-10-13-6-2-4-8-16(13)27-17;21-18-14-7-3-1-5-12(14)9-15-19(22-11-23-20(15)18)17-10-13-6-2-4-8-16(13)24-17;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h4-11,13-14H,1-3H3;1-8,10H;1-9,11H;1-9,11H;4*9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;.
What are the key properties of 4-(3H-1-benzothiophen-3-id-2-yl)-10-fluorobenzo[g]quinazoline;4-(3H-1-benzothiophen-3-id-2-yl)-5-fluoro-10-(trifluoromethyl)benzo[g]quinazoline;4-(3H-1-benzothiophen-3-id-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-fluoro-10-(trifluoromethyl)benzo[g]quinazoline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)?
4-(3H-1-benzothiophen-3-id-2-yl)-10-fluorobenzo[g]quinazoline;4-(3H-1-benzothiophen-3-id-2-yl)-5-fluoro-10-(trifluoromethyl)benzo[g]quinazoline;4-(3H-1-benzothiophen-3-id-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-fluoro-10-(trifluoromethyl)benzo[g]quinazoline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) has a molecular weight of 3171.80 g/mol, XLogP of 42.04, 32 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3H-1-benzothiophen-3-id-2-yl)-10-fluorobenzo[g]quinazoline;4-(3H-1-benzothiophen-3-id-2-yl)-5-fluoro-10-(trifluoromethyl)benzo[g]quinazoline;4-(3H-1-benzothiophen-3-id-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-fluoro-10-(trifluoromethyl)benzo[g]quinazoline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) is sourced from PubChem (CID 158429736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).