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;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);7-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;2-phenylquinoline;platinum

C165H162Ir6N11O13PtS2-5 — CID 158062835

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;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);7-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;2-phenylquinoline;platinum
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.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.Cc1ccc2ccc(-c3[c-]cccc3)nc2c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccc2ccccc2c1-c1ccccn1.[c-]1ccccc1-c1ccc2ccccc2n1.c1cc2c3c(c1)ccc[n+]3CO2
InChIInChI=1S/C35H42N4.C18H16N.C16H12N.2C15H10N.2C13H8NS.C10H8NO.6C5H8O2.6Ir.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;1-12-7-8-14-9-10-15(17-16(14)11-12)13-5-3-2-4-6-13;1-2-8-13-12(6-1)7-5-9-14(13)15-10-3-4-11-16-15;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;1-3-8-4-2-6-11-7-12-9(5-1)10(8)11;6*1-4(6)3-5(2)7;;;;;;;/h16-19H,9-15H2,1-8H3;4-9,11H,1-3H3;2-5,7-11H,1H3;1-8,10-11H;1-6,8-11H;2*1-8H;1-6H,7H2;6*3,6H,1-2H3;;;;;;;/q;6*-1;+1;;;;;;;;;;;;;/b28-16-,29-17-,30-16-,31-17-,32-18-,33-19-,34-18-,35-19-;;;;;;;;;;;;;;;;;;;;
InChIKeyANXKZJZYICULJK-DGXTWHBVSA-N
MW3919.69 g/mol
LogP40.68
Rot. Bonds19

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;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);7-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;2-phenylquinoline;platinum

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;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);7-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;2-phenylquinoline;platinum (PubChem CID 158062835) has the molecular formula C165H162Ir6N11O13PtS2-5 and a molecular weight of 3919.69 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;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);7-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;2-phenylquinoline;platinum.

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;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);7-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;2-phenylquinoline;platinum
PubChem CID158062835
Molecular FormulaC165H162Ir6N11O13PtS2-5
Molecular Weight3919.69 g/mol
Exact Mass3921.92
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;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);7-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;2-phenylquinoline;platinum
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.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.Cc1ccc2ccc(-c3[c-]cccc3)nc2c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccc2ccccc2c1-c1ccccn1.[c-]1ccccc1-c1ccc2ccccc2n1.c1cc2c3c(c1)ccc[n+]3CO2
InChIInChI=1S/C35H42N4.C18H16N.C16H12N.2C15H10N.2C13H8NS.C10H8NO.6C5H8O2.6Ir.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;1-12-7-8-14-9-10-15(17-16(14)11-12)13-5-3-2-4-6-13;1-2-8-13-12(6-1)7-5-9-14(13)15-10-3-4-11-16-15;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;1-3-8-4-2-6-11-7-12-9(5-1)10(8)11;6*1-4(6)3-5(2)7;;;;;;;/h16-19H,9-15H2,1-8H3;4-9,11H,1-3H3;2-5,7-11H,1H3;1-8,10-11H;1-6,8-11H;2*1-8H;1-6H,7H2;6*3,6H,1-2H3;;;;;;;/q;6*-1;+1;;;;;;;;;;;;;/b28-16-,29-17-,30-16-,31-17-,32-18-,33-19-,34-18-,35-19-;;;;;;;;;;;;;;;;;;;;
InChIKeyANXKZJZYICULJK-DGXTWHBVSA-N
XLogP40.68
TPSA363.69 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds19
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003919.69
LogP ≤ 540.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

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;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);7-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;2-phenylquinoline;platinum with MolForge

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Related Compounds

2-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)pyridine;2-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium);3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene
CID 157618272
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
bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);methane;7-methyl-2-phenylquinoline;2,3,7,8,12,13,17,18-octaethylporphyrin;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol
CID 157182368
bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;7-methyl-2-phenylquinoline;naphthalen-1-ol;1-phenylisoquinoline;2-phenylquinoline;platinum
CID 157187163
CID 157236029
CID 157236029
bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);7-methyl-2-phenylquinoline;1-methylquinolin-1-ium-8-ol;2,3,7,8,12,13,17,18-octaethylporphyrin;1-phenylisoquinoline;2-phenylquinoline;platinum
CID 157254541
CID 157321007
CID 157321007
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;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);7-methyl-2-phenylquinoline;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;1-phenyl-2H-naphthalen-2-ide;2-phenylquinoline;platinum
CID 157323567
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
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
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;hexakis(4-hydroxypent-3-en-2-one);heptakis(iridium);methane;3-methyl-2-phenylquinoline;7-methyl-2-phenylquinoline;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol
CID 157436394
bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);7-methyl-2-phenylquinoline;2,3,5,7,8,12,13,18-octaethyl-17-methylporphyrin;1-phenylisoquinoline;2-phenylquinoline;platinum;quinolin-8-ol
CID 157560877

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;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);7-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;2-phenylquinoline;platinum?
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;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);7-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;2-phenylquinoline;platinum (CID 158062835) 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;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);7-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;2-phenylquinoline;platinum.
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;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);7-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;2-phenylquinoline;platinum?
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;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);7-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;2-phenylquinoline;platinum 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.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.Cc1ccc2ccc(-c3[c-]cccc3)nc2c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccc2ccccc2c1-c1ccccn1.[c-]1ccccc1-c1ccc2ccccc2n1.c1cc2c3c(c1)ccc[n+]3CO2.
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;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);7-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;2-phenylquinoline;platinum?
The InChIKey is ANXKZJZYICULJK-DGXTWHBVSA-N. The full InChI is InChI=1S/C35H42N4.C18H16N.C16H12N.2C15H10N.2C13H8NS.C10H8NO.6C5H8O2.6Ir.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;1-12-7-8-14-9-10-15(17-16(14)11-12)13-5-3-2-4-6-13;1-2-8-13-12(6-1)7-5-9-14(13)15-10-3-4-11-16-15;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;1-3-8-4-2-6-11-7-12-9(5-1)10(8)11;6*1-4(6)3-5(2)7;;;;;;;/h16-19H,9-15H2,1-8H3;4-9,11H,1-3H3;2-5,7-11H,1H3;1-8,10-11H;1-6,8-11H;2*1-8H;1-6H,7H2;6*3,6H,1-2H3;;;;;;;/q;6*-1;+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;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);7-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;2-phenylquinoline;platinum?
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;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);7-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;2-phenylquinoline;platinum has a molecular weight of 3919.69 g/mol, XLogP of 40.68, 19 rotatable bonds, 6 hydrogen bond donors, and 25 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;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);7-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene;2-phenylquinoline;platinum is sourced from PubChem (CID 158062835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).