bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);carbon monoxide;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);7-methyl-2-phenylquinoline;2,3,7,8,12,13,17,18-octaethylporphyrin;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol;rhenium

C146H139Ir5N10O15PtReS2-5 — CID 157132920

IUPACbis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);carbon monoxide;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);7-methyl-2-phenylquinoline;2,3,7,8,12,13,17,18-octaethylporphyrin;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol;rhenium
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CCC1=C(CC)/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C(CC)=C5CC)C(CC)=C4CC)C(CC)=C3CC.Cc1ccc2ccc(-c3[c-]cccc3)nc2c1.Oc1cccc2cccnc12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[Re].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1nccc2ccccc12
InChIInChI=1S/C36H44N4.C16H12N.2C15H10N.2C13H8NS.C9H7NO.5C5H8O2.4CO.5Ir.Pt.Re/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;1-12-7-8-14-9-10-15(17-16(14)11-12)13-5-3-2-4-6-13;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;2*1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;11-8-5-1-3-7-4-2-6-10-9(7)8;5*1-4(6)3-5(2)7;4*1-2;;;;;;;/h17-20H,9-16H2,1-8H3;2-5,7-11H,1H3;1-7,9-11H;1-6,8-11H;2*1-8H;1-6,11H;5*3,6H,1-2H3;;;;;;;;;;;/q;5*-1;;;;;;;;;;;;;;;;;/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;;;;;;;;;;;;;;;;;;;;;
InChIKeyXJFHIKZZSIDFPQ-QGBVEJMWSA-N
MW3680.28 g/mol
LogP35.72
Rot. Bonds18

About bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);carbon monoxide;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);7-methyl-2-phenylquinoline;2,3,7,8,12,13,17,18-octaethylporphyrin;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol;rhenium

bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);carbon monoxide;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);7-methyl-2-phenylquinoline;2,3,7,8,12,13,17,18-octaethylporphyrin;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol;rhenium (PubChem CID 157132920) has the molecular formula C146H139Ir5N10O15PtReS2-5 and a molecular weight of 3680.28 g/mol. Its IUPAC name is bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);carbon monoxide;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);7-methyl-2-phenylquinoline;2,3,7,8,12,13,17,18-octaethylporphyrin;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol;rhenium.

Molecular Properties

Compound Namebis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);carbon monoxide;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);7-methyl-2-phenylquinoline;2,3,7,8,12,13,17,18-octaethylporphyrin;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol;rhenium
PubChem CID157132920
Molecular FormulaC146H139Ir5N10O15PtReS2-5
Molecular Weight3680.28 g/mol
Exact Mass3682.72
IUPAC Namebis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);carbon monoxide;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);7-methyl-2-phenylquinoline;2,3,7,8,12,13,17,18-octaethylporphyrin;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol;rhenium
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CCC1=C(CC)/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C(CC)=C5CC)C(CC)=C4CC)C(CC)=C3CC.Cc1ccc2ccc(-c3[c-]cccc3)nc2c1.Oc1cccc2cccnc12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[Re].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1nccc2ccccc12
InChIInChI=1S/C36H44N4.C16H12N.2C15H10N.2C13H8NS.C9H7NO.5C5H8O2.4CO.5Ir.Pt.Re/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;1-12-7-8-14-9-10-15(17-16(14)11-12)13-5-3-2-4-6-13;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;2*1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;11-8-5-1-3-7-4-2-6-10-9(7)8;5*1-4(6)3-5(2)7;4*1-2;;;;;;;/h17-20H,9-16H2,1-8H3;2-5,7-11H,1H3;1-7,9-11H;1-6,8-11H;2*1-8H;1-6,11H;5*3,6H,1-2H3;;;;;;;;;;;/q;5*-1;;;;;;;;;;;;;;;;;/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;;;;;;;;;;;;;;;;;;;;;
InChIKeyXJFHIKZZSIDFPQ-QGBVEJMWSA-N
XLogP35.72
TPSA413.11 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds18
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003680.28
LogP ≤ 535.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);carbon monoxide;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);7-methyl-2-phenylquinoline;2,3,7,8,12,13,17,18-octaethylporphyrin;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol;rhenium with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);carbon monoxide;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);7-methyl-2-phenylquinoline;2,3,7,8,12,13,17,18-octaethylporphyrin;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol;rhenium?
The IUPAC name of bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);carbon monoxide;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);7-methyl-2-phenylquinoline;2,3,7,8,12,13,17,18-octaethylporphyrin;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol;rhenium (CID 157132920) is bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);carbon monoxide;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);7-methyl-2-phenylquinoline;2,3,7,8,12,13,17,18-octaethylporphyrin;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol;rhenium.
What is the SMILES notation for bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);carbon monoxide;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);7-methyl-2-phenylquinoline;2,3,7,8,12,13,17,18-octaethylporphyrin;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol;rhenium?
The canonical SMILES for bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);carbon monoxide;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);7-methyl-2-phenylquinoline;2,3,7,8,12,13,17,18-octaethylporphyrin;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol;rhenium is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CCC1=C(CC)/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C(CC)=C5CC)C(CC)=C4CC)C(CC)=C3CC.Cc1ccc2ccc(-c3[c-]cccc3)nc2c1.Oc1cccc2cccnc12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[Re].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1nccc2ccccc12.
What is the InChIKey of bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);carbon monoxide;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);7-methyl-2-phenylquinoline;2,3,7,8,12,13,17,18-octaethylporphyrin;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol;rhenium?
The InChIKey is XJFHIKZZSIDFPQ-QGBVEJMWSA-N. The full InChI is InChI=1S/C36H44N4.C16H12N.2C15H10N.2C13H8NS.C9H7NO.5C5H8O2.4CO.5Ir.Pt.Re/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;1-12-7-8-14-9-10-15(17-16(14)11-12)13-5-3-2-4-6-13;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;2*1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;11-8-5-1-3-7-4-2-6-10-9(7)8;5*1-4(6)3-5(2)7;4*1-2;;;;;;;/h17-20H,9-16H2,1-8H3;2-5,7-11H,1H3;1-7,9-11H;1-6,8-11H;2*1-8H;1-6,11H;5*3,6H,1-2H3;;;;;;;;;;;/q;5*-1;;;;;;;;;;;;;;;;;/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);carbon monoxide;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);7-methyl-2-phenylquinoline;2,3,7,8,12,13,17,18-octaethylporphyrin;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol;rhenium?
bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);carbon monoxide;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);7-methyl-2-phenylquinoline;2,3,7,8,12,13,17,18-octaethylporphyrin;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol;rhenium has a molecular weight of 3680.28 g/mol, XLogP of 35.72, 18 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);carbon monoxide;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);7-methyl-2-phenylquinoline;2,3,7,8,12,13,17,18-octaethylporphyrin;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol;rhenium is sourced from PubChem (CID 157132920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).