bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);carbon monoxide;2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;5-hydroxy-2,6-dimethylhept-4-en-3-one;hexakis(4-hydroxypent-3-en-2-one);octakis(iridium);3-methyl-2-phenylquinoline;7-methyl-2-phenylquinoline;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol;rhenium

C210H203Ir8N13O19PtReS2-8 — CID 157427630

IUPACbis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);carbon monoxide;2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;5-hydroxy-2,6-dimethylhept-4-en-3-one;hexakis(4-hydroxypent-3-en-2-one);octakis(iridium);3-methyl-2-phenylquinoline;7-methyl-2-phenylquinoline;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.CC(=O)C=C(C)O.CC(C)C(=O)C=C(O)C(C)C.CCC1=C(C)/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.Cc1[c-]c(-c2ccc3ccc(C)cc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3ccccc3n2)cc(C)c1.Cc1cc2ccccc2nc1-c1[c-]cccc1.Cc1ccc2ccc(-c3[c-]cccc3)nc2c1.Oc1cccc2cccnc12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[Re].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1nccc2ccccc12
InChIInChI=1S/C35H42N4.C18H16N.C17H14N.2C16H12N.2C15H10N.2C13H8NS.C9H7NO.C9H16O2.6C5H8O2.4CO.8Ir.Pt.Re/c1-9-21-20(8)28-16-30-22(10-2)23(11-3)32(37-30)18-34-26(14-6)27(15-7)35(39-34)19-33-25(13-5)24(12-4)31(38-33)17-29(21)36-28;1-12-4-5-15-6-7-17(19-18(15)11-12)16-9-13(2)8-14(3)10-16;1-12-9-13(2)11-15(10-12)17-8-7-14-5-3-4-6-16(14)18-17;1-12-11-14-9-5-6-10-15(14)17-16(12)13-7-3-2-4-8-13;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;1-6(2)8(10)5-9(11)7(3)4;6*1-4(6)3-5(2)7;4*1-2;;;;;;;;;;/h16-19H,9-15H2,1-8H3;4-9,11H,1-3H3;3-10H,1-2H3;2-7,9-11H,1H3;2-5,7-11H,1H3;1-7,9-11H;1-6,8-11H;2*1-8H;1-6,11H;5-7,10H,1-4H3;6*3,6H,1-2H3;;;;;;;;;;;;;;/q;8*-1;;;;;;;;;;;;;;;;;;;;;;/b28-16-,29-17-,30-16-,31-17-,32-18-,33-19-,34-18-,35-19-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyVHEUBSYTVIXUQR-JPYYEOSPSA-N
MW5196.16 g/mol
LogP51.63
Rot. Bonds24

About bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);carbon monoxide;2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;5-hydroxy-2,6-dimethylhept-4-en-3-one;hexakis(4-hydroxypent-3-en-2-one);octakis(iridium);3-methyl-2-phenylquinoline;7-methyl-2-phenylquinoline;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol;rhenium

bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);carbon monoxide;2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;5-hydroxy-2,6-dimethylhept-4-en-3-one;hexakis(4-hydroxypent-3-en-2-one);octakis(iridium);3-methyl-2-phenylquinoline;7-methyl-2-phenylquinoline;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol;rhenium (PubChem CID 157427630) has the molecular formula C210H203Ir8N13O19PtReS2-8 and a molecular weight of 5196.16 g/mol. Its IUPAC name is bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);carbon monoxide;2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;5-hydroxy-2,6-dimethylhept-4-en-3-one;hexakis(4-hydroxypent-3-en-2-one);octakis(iridium);3-methyl-2-phenylquinoline;7-methyl-2-phenylquinoline;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol;rhenium.

Molecular Properties

Compound Namebis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);carbon monoxide;2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;5-hydroxy-2,6-dimethylhept-4-en-3-one;hexakis(4-hydroxypent-3-en-2-one);octakis(iridium);3-methyl-2-phenylquinoline;7-methyl-2-phenylquinoline;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol;rhenium
PubChem CID157427630
Molecular FormulaC210H203Ir8N13O19PtReS2-8
Molecular Weight5196.16 g/mol
Exact Mass5200.10
IUPAC Namebis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);carbon monoxide;2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;5-hydroxy-2,6-dimethylhept-4-en-3-one;hexakis(4-hydroxypent-3-en-2-one);octakis(iridium);3-methyl-2-phenylquinoline;7-methyl-2-phenylquinoline;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.CC(=O)C=C(C)O.CC(C)C(=O)C=C(O)C(C)C.CCC1=C(C)/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.Cc1[c-]c(-c2ccc3ccc(C)cc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3ccccc3n2)cc(C)c1.Cc1cc2ccccc2nc1-c1[c-]cccc1.Cc1ccc2ccc(-c3[c-]cccc3)nc2c1.Oc1cccc2cccnc12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[Re].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1nccc2ccccc12
InChIInChI=1S/C35H42N4.C18H16N.C17H14N.2C16H12N.2C15H10N.2C13H8NS.C9H7NO.C9H16O2.6C5H8O2.4CO.8Ir.Pt.Re/c1-9-21-20(8)28-16-30-22(10-2)23(11-3)32(37-30)18-34-26(14-6)27(15-7)35(39-34)19-33-25(13-5)24(12-4)31(38-33)17-29(21)36-28;1-12-4-5-15-6-7-17(19-18(15)11-12)16-9-13(2)8-14(3)10-16;1-12-9-13(2)11-15(10-12)17-8-7-14-5-3-4-6-16(14)18-17;1-12-11-14-9-5-6-10-15(14)17-16(12)13-7-3-2-4-8-13;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;1-6(2)8(10)5-9(11)7(3)4;6*1-4(6)3-5(2)7;4*1-2;;;;;;;;;;/h16-19H,9-15H2,1-8H3;4-9,11H,1-3H3;3-10H,1-2H3;2-7,9-11H,1H3;2-5,7-11H,1H3;1-7,9-11H;1-6,8-11H;2*1-8H;1-6,11H;5-7,10H,1-4H3;6*3,6H,1-2H3;;;;;;;;;;;;;;/q;8*-1;;;;;;;;;;;;;;;;;;;;;;/b28-16-,29-17-,30-16-,31-17-,32-18-,33-19-,34-18-,35-19-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyVHEUBSYTVIXUQR-JPYYEOSPSA-N
XLogP51.63
TPSA526.38 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds24
Heavy Atoms254
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005196.16
LogP ≤ 551.63
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Analyze bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);carbon monoxide;2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;5-hydroxy-2,6-dimethylhept-4-en-3-one;hexakis(4-hydroxypent-3-en-2-one);octakis(iridium);3-methyl-2-phenylquinoline;7-methyl-2-phenylquinoline;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;2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;5-hydroxy-2,6-dimethylhept-4-en-3-one;hexakis(4-hydroxypent-3-en-2-one);octakis(iridium);3-methyl-2-phenylquinoline;7-methyl-2-phenylquinoline;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;2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;5-hydroxy-2,6-dimethylhept-4-en-3-one;hexakis(4-hydroxypent-3-en-2-one);octakis(iridium);3-methyl-2-phenylquinoline;7-methyl-2-phenylquinoline;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol;rhenium (CID 157427630) is bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);carbon monoxide;2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;5-hydroxy-2,6-dimethylhept-4-en-3-one;hexakis(4-hydroxypent-3-en-2-one);octakis(iridium);3-methyl-2-phenylquinoline;7-methyl-2-phenylquinoline;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;2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;5-hydroxy-2,6-dimethylhept-4-en-3-one;hexakis(4-hydroxypent-3-en-2-one);octakis(iridium);3-methyl-2-phenylquinoline;7-methyl-2-phenylquinoline;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;2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;5-hydroxy-2,6-dimethylhept-4-en-3-one;hexakis(4-hydroxypent-3-en-2-one);octakis(iridium);3-methyl-2-phenylquinoline;7-methyl-2-phenylquinoline;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.CC(=O)C=C(C)O.CC(C)C(=O)C=C(O)C(C)C.CCC1=C(C)/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.Cc1[c-]c(-c2ccc3ccc(C)cc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3ccccc3n2)cc(C)c1.Cc1cc2ccccc2nc1-c1[c-]cccc1.Cc1ccc2ccc(-c3[c-]cccc3)nc2c1.Oc1cccc2cccnc12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ir].[Ir].[Ir].[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;2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;5-hydroxy-2,6-dimethylhept-4-en-3-one;hexakis(4-hydroxypent-3-en-2-one);octakis(iridium);3-methyl-2-phenylquinoline;7-methyl-2-phenylquinoline;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol;rhenium?
The InChIKey is VHEUBSYTVIXUQR-JPYYEOSPSA-N. The full InChI is InChI=1S/C35H42N4.C18H16N.C17H14N.2C16H12N.2C15H10N.2C13H8NS.C9H7NO.C9H16O2.6C5H8O2.4CO.8Ir.Pt.Re/c1-9-21-20(8)28-16-30-22(10-2)23(11-3)32(37-30)18-34-26(14-6)27(15-7)35(39-34)19-33-25(13-5)24(12-4)31(38-33)17-29(21)36-28;1-12-4-5-15-6-7-17(19-18(15)11-12)16-9-13(2)8-14(3)10-16;1-12-9-13(2)11-15(10-12)17-8-7-14-5-3-4-6-16(14)18-17;1-12-11-14-9-5-6-10-15(14)17-16(12)13-7-3-2-4-8-13;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;1-6(2)8(10)5-9(11)7(3)4;6*1-4(6)3-5(2)7;4*1-2;;;;;;;;;;/h16-19H,9-15H2,1-8H3;4-9,11H,1-3H3;3-10H,1-2H3;2-7,9-11H,1H3;2-5,7-11H,1H3;1-7,9-11H;1-6,8-11H;2*1-8H;1-6,11H;5-7,10H,1-4H3;6*3,6H,1-2H3;;;;;;;;;;;;;;/q;8*-1;;;;;;;;;;;;;;;;;;;;;;/b28-16-,29-17-,30-16-,31-17-,32-18-,33-19-,34-18-,35-19-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);carbon monoxide;2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;5-hydroxy-2,6-dimethylhept-4-en-3-one;hexakis(4-hydroxypent-3-en-2-one);octakis(iridium);3-methyl-2-phenylquinoline;7-methyl-2-phenylquinoline;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol;rhenium?
bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);carbon monoxide;2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;5-hydroxy-2,6-dimethylhept-4-en-3-one;hexakis(4-hydroxypent-3-en-2-one);octakis(iridium);3-methyl-2-phenylquinoline;7-methyl-2-phenylquinoline;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol;rhenium has a molecular weight of 5196.16 g/mol, XLogP of 51.63, 24 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);carbon monoxide;2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;5-hydroxy-2,6-dimethylhept-4-en-3-one;hexakis(4-hydroxypent-3-en-2-one);octakis(iridium);3-methyl-2-phenylquinoline;7-methyl-2-phenylquinoline;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol;rhenium is sourced from PubChem (CID 157427630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).