bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;5-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol

C161H159Ir5N11O11PtS2-4 — CID 157363698

IUPACbis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;5-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol
SMILESC.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(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.Cc1cc2[n+](c3ccccc13)Cc1ccccc1-2.Oc1cccc2cccnc12.[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1nccc2ccccc12
InChIInChI=1S/C35H42N4.C18H16N.C17H14N.2C15H10N.2C13H8NS.C9H7NO.5C5H8O2.CH4.5Ir.Pt/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;1-12-10-17-15-8-3-2-6-13(15)11-18(17)16-9-5-4-7-14(12)16;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;;;;;;;/h16-19H,9-15H2,1-8H3;4-9,11H,1-3H3;2-10H,11H2,1H3;1-7,9-11H;1-6,8-11H;2*1-8H;1-6,11H;5*3,6H,1-2H3;1H4;;;;;;/q;-1;+1;4*-1;;;;;;;;;;;;;/b28-16-,29-17-,30-16-,31-17-,32-18-,33-19-,34-18-,35-19-;;;;;;;;;;;;;;;;;;;
InChIKeyBKIRTXYMHSHUTF-NZNCRGPVSA-N
MW3644.41 g/mol
LogP40.20
Rot. Bonds17

About bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;5-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol

bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;5-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol (PubChem CID 157363698) has the molecular formula C161H159Ir5N11O11PtS2-4 and a molecular weight of 3644.41 g/mol. Its IUPAC name is bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;5-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol.

Molecular Properties

Compound Namebis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;5-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol
PubChem CID157363698
Molecular FormulaC161H159Ir5N11O11PtS2-4
Molecular Weight3644.41 g/mol
Exact Mass3645.95
IUPAC Namebis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;5-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol
SMILESC.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(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.Cc1cc2[n+](c3ccccc13)Cc1ccccc1-2.Oc1cccc2cccnc12.[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1nccc2ccccc12
InChIInChI=1S/C35H42N4.C18H16N.C17H14N.2C15H10N.2C13H8NS.C9H7NO.5C5H8O2.CH4.5Ir.Pt/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;1-12-10-17-15-8-3-2-6-13(15)11-18(17)16-9-5-4-7-14(12)16;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;;;;;;;/h16-19H,9-15H2,1-8H3;4-9,11H,1-3H3;2-10H,11H2,1H3;1-7,9-11H;1-6,8-11H;2*1-8H;1-6,11H;5*3,6H,1-2H3;1H4;;;;;;/q;-1;+1;4*-1;;;;;;;;;;;;;/b28-16-,29-17-,30-16-,31-17-,32-18-,33-19-,34-18-,35-19-;;;;;;;;;;;;;;;;;;;
InChIKeyBKIRTXYMHSHUTF-NZNCRGPVSA-N
XLogP40.20
TPSA337.39 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds17
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003644.41
LogP ≤ 540.20
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;5-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol 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);2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;5-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol?
The IUPAC name of bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;5-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol (CID 157363698) is bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;5-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol.
What is the SMILES notation for bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;5-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol?
The canonical SMILES for bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;5-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol is C.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(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.Cc1cc2[n+](c3ccccc13)Cc1ccccc1-2.Oc1cccc2cccnc12.[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[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);2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;5-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol?
The InChIKey is BKIRTXYMHSHUTF-NZNCRGPVSA-N. The full InChI is InChI=1S/C35H42N4.C18H16N.C17H14N.2C15H10N.2C13H8NS.C9H7NO.5C5H8O2.CH4.5Ir.Pt/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;1-12-10-17-15-8-3-2-6-13(15)11-18(17)16-9-5-4-7-14(12)16;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;;;;;;;/h16-19H,9-15H2,1-8H3;4-9,11H,1-3H3;2-10H,11H2,1H3;1-7,9-11H;1-6,8-11H;2*1-8H;1-6,11H;5*3,6H,1-2H3;1H4;;;;;;/q;-1;+1;4*-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);2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;5-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol?
bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;5-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol has a molecular weight of 3644.41 g/mol, XLogP of 40.20, 17 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);2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;5-methyl-11H-isoindolo[2,1-a]quinolin-12-ium;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol is sourced from PubChem (CID 157363698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).